lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@@H](C)C(N)=O)[nH]c3ccc(Cl)cc23)c1
InChIKey: UDJDZBKDACDLLY-LBPRGKRZSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of HIV1 reverse transcriptase p66/p51 K103N mutant
Measurement: IC50 = 1005 nM (pChEMBL 6)
Descriptors: MW 433.92, ALogP 2.87, HBA 4, HBD 3, PSA 122.12, QED 0.57
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@H](C)C(N)=O)[nH]c3ccc(Cl)cc23)c1
InChIKey: UDJDZBKDACDLLY-GFCCVEGCSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of HIV1 reverse transcriptase p66/p51 K103N mutant
Measurement: IC50 = 253 nM (pChEMBL 6.599999904632568)
Descriptors: MW 433.92, ALogP 2.87, HBA 4, HBD 3, PSA 122.12, QED 0.57
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@@H](C)C(N)=O)[nH]c3ccc(Br)cc23)c1
InChIKey: ZWDMOCLWOFLYJB-LBPRGKRZSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of HIV1 reverse transcriptase p66/p51 K103N mutant
Measurement: IC50 = 1504 nM (pChEMBL 5.820000171661377)
Descriptors: MW 478.37, ALogP 2.98, HBA 4, HBD 3, PSA 122.12, QED 0.52
Compound (SMILES): NC(=O)c1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314
InChIKey: FCWIXGWALZNKAB-PNIWUYDQSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
Measurement: Ki = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 384.48, ALogP 1.1, HBA 5, HBD 3, PSA 96.02, QED 0.73
Compound (SMILES): O=C(/C=C/c1ccc(/C=N/OCc2c(F)c(F)c(F)c(F)c2F)cc1)NO
InChIKey: ATRIOAVZXXVRHX-UDVGQSQZSA-N
Target: Histone deacetylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92769
Assay: Inhibition of human HDAC2
Measurement: IC50 = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 386.28, ALogP 3.45, HBA 4, HBD 2, PSA 70.92, QED 0.15
Compound (SMILES): O=C(/C=C/c1ccc(/C=N/OCc2ccc([N+](=O)[O-])cc2)cc1)NO
InChIKey: IWWFFHDXUHSRDM-PFMZDYLOSA-N
Target: Histone deacetylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92769
Assay: Inhibition of human HDAC2
Measurement: IC50 = 2670 nM (pChEMBL 5.570000171661377)
Descriptors: MW 341.32, ALogP 2.66, HBA 6, HBD 2, PSA 114.06, QED 0.26
Compound (SMILES): COC(=O)c1ccc(CO/N=C/c2ccc(/C=C/C(=O)NO)cc2)cc1
InChIKey: IHHUORPGTIDVFD-JOESBUEISA-N
Target: Histone deacetylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92769
Assay: Inhibition of human HDAC2
Measurement: IC50 = 15800 nM (pChEMBL 4.800000190734863)
Descriptors: MW 354.36, ALogP 2.54, HBA 6, HBD 2, PSA 97.22, QED 0.26
Compound (SMILES): O=C(/C=C/c1ccc(/C=N/OCCN2CCOCC2)cc1)NO
InChIKey: KKMCPDKFGBXVNL-WDGODYKHSA-N
Target: Histone deacetylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92769
Assay: Inhibition of human HDAC2
Measurement: IC50 = 27700 nM (pChEMBL 4.559999942779541)
Descriptors: MW 319.36, ALogP 0.89, HBA 6, HBD 2, PSA 83.39, QED 0.26
Compound (SMILES): CCCN1CC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(C(=O)O)cc2)C1=O
InChIKey: UOLUFPJCRSHVKK-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of COX2 in mouse peritoneal macrophages
Measurement: IC50 = 410 nM (pChEMBL 6.389999866485596)
Descriptors: MW 399.47, ALogP 2.95, HBA 4, HBD 1, PSA 91.75, QED 0.81
Compound (SMILES): CCCN1CC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(CO)cc2)C1=O
InChIKey: HOQRPUGACQIBBI-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of COX2 in mouse peritoneal macrophages
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 385.49, ALogP 2.75, HBA 4, HBD 1, PSA 74.68, QED 0.83
Compound (SMILES): CCCN1CC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(C)cc2)C1=O
InChIKey: AXMZZGKKZDJGAZ-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Mus musculus
UniProt: P22437
Assay: Inhibition of COX1 in mouse peritoneal macrophages
Measurement: IC50 = 115 nM (pChEMBL 6.940000057220459)
Descriptors: MW 369.49, ALogP 3.56, HBA 3, HBD 0, PSA 54.45, QED 0.81
Compound (SMILES): Cc1ccccc1Oc1ccc(C#N)c(Cl)c1
InChIKey: NOLQETBWRAYXMF-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response
Measurement: IC50 = 57 nM (pChEMBL 7.239999771118164)
Descriptors: MW 243.69, ALogP 4.31, HBA 2, HBD 0, PSA 33.02, QED 0.79
Compound (SMILES): CC(C)(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Br)cc3)c2C(=O)Nc2ccccc2)o1
InChIKey: UVFWCIGTUOMCPO-UHFFFAOYSA-N
Target: Cannabinoid receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34972
Assay: Displacement of [3H]WIN-55212-2 from human recombinant cannabinoid CB2 receptor expressed in CHOK1 cells by liquid scintillation spectrometry
Measurement: IC50 = 386 nM (pChEMBL 6.409999847412109)
Descriptors: MW 611.33, ALogP 8.21, HBA 6, HBD 1, PSA 85.84, QED 0.22
Compound (SMILES): CC(C)(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Br)cc3)c2C(=O)Nc2ccccn2)o1
InChIKey: CBJWORQSUZDXBF-UHFFFAOYSA-N
Target: Cannabinoid receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34972
Assay: Displacement of [3H]WIN-55212-2 from human recombinant cannabinoid CB2 receptor expressed in CHOK1 cells by liquid scintillation spectrometry
Measurement: IC50 = 374 nM (pChEMBL 6.429999828338623)
Descriptors: MW 612.32, ALogP 7.6, HBA 7, HBD 1, PSA 98.73, QED 0.22
Compound (SMILES): O=c1oc2ccccc2cc1Cc1ccccc1
InChIKey: JYRBNAFFPVAQRG-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 236.27, ALogP 3.38, HBA 2, HBD 0, PSA 30.21, QED 0.64
Compound (SMILES): O=c1oc2ccc3ccccc3c2cc1Cc1ccccc1
InChIKey: OOALWLFUSOVWMV-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 4190 nM (pChEMBL 5.380000114440918)
Descriptors: MW 286.33, ALogP 4.54, HBA 2, HBD 0, PSA 30.21, QED 0.4
Compound (SMILES): COc1ccccc1Cc1cc2c(ccc3ccccc32)oc1=O
InChIKey: VCXYTPBLXWPGOC-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 316.36, ALogP 4.55, HBA 3, HBD 0, PSA 39.44, QED 0.41
Compound (SMILES): Cc1cc2c(ccc3ccccc32)oc1=O
InChIKey: QKOZRPGRBXTAJS-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 210.23, ALogP 3.25, HBA 2, HBD 0, PSA 30.21, QED 0.42
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@H](C)C(N)=O)[nH]c3ccc(Br)cc23)c1
InChIKey: ZWDMOCLWOFLYJB-GFCCVEGCSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of HIV1 reverse transcriptase p66/p51 K103N mutant
Measurement: IC50 = 324 nM (pChEMBL 6.489999771118164)
Descriptors: MW 478.37, ALogP 2.98, HBA 4, HBD 3, PSA 122.12, QED 0.52
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@@H](C)CC(N)=O)[nH]c3ccc(Cl)cc23)c1
InChIKey: QXXKLWAJMOTPFM-ZDUSSCGKSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of HIV1 reverse transcriptase p66/p51 K103N mutant
Measurement: IC50 = 1340 nM (pChEMBL 5.869999885559082)
Descriptors: MW 447.94, ALogP 3.26, HBA 4, HBD 3, PSA 122.12, QED 0.54
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@H](C)CC(N)=O)[nH]c3ccc(Cl)cc23)c1
InChIKey: QXXKLWAJMOTPFM-CYBMUJFWSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of HIV1 reverse transcriptase p66/p51 K103N mutant
Measurement: IC50 = 1417 nM (pChEMBL 5.849999904632568)
Descriptors: MW 447.94, ALogP 3.26, HBA 4, HBD 3, PSA 122.12, QED 0.54
Compound (SMILES): NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CC[C@@H](O)C3
InChIKey: NWIALXFYKPFWTR-PVFUSPOPSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki = 0.34 nM (pChEMBL 9.470000267028809)
Descriptors: MW 386.49, ALogP 1.44, HBA 5, HBD 4, PSA 107.02, QED 0.63
Compound (SMILES): C[N+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13.[I-]
InChIKey: ASEVPQXQYZYISK-AWWHIPSFSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki = 7.7 nM (pChEMBL 8.109999656677246)
Descriptors: MW 385.48, ALogP 1.4, HBA 4, HBD 3, PSA 100.62, QED 0.68
Compound (SMILES): Cl.NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3
InChIKey: LRMKVAABEFFIDK-GPCMIKKWSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
Measurement: Ki = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 370.45, ALogP 1.25, HBA 5, HBD 3, PSA 103.86, QED 0.74
Compound (SMILES): COc1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIKey: OIJJXSXXDAGLIZ-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system
Measurement: IC50 = 83 nM (pChEMBL 7.079999923706055)
Descriptors: MW 293.24, ALogP 4.38, HBA 3, HBD 0, PSA 42.25, QED 0.84
Compound (SMILES): OCCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
InChIKey: QFBGUCZGHVJUGC-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13255
Assay: Antagonist activity at mGluR1
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 365.44, ALogP 2.02, HBA 7, HBD 3, PSA 92.19, QED 0.53
Compound (SMILES): COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1OC1CCCC1
InChIKey: CMDAQLXZGWQKFG-UHFFFAOYSA-N
Target: SUMO-activating enzyme subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBE0
Assay: Inhibition of recombinant GST-fused SUMO E1 (unknown origin) using RanGAP1 as substrate after 2 hrs by immunoblot analysis
Measurement: IC50 = 13400 nM (pChEMBL 4.869999885559082)
Descriptors: MW 505.96, ALogP 6.44, HBA 7, HBD 2, PSA 107.49, QED 0.3
Compound (SMILES): N/C(=N\OC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(CSc2ccccn2)c1
InChIKey: YPCLWBRDGHYSAZ-UHFFFAOYSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 432.33, ALogP 5.16, HBA 5, HBD 1, PSA 77.57, QED 0.19
Compound (SMILES): CC(C)C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(=O)O
InChIKey: IRVQMFFWCSCWMQ-LJQANCHMSA-N
Target: Cholecystokinin receptor type A (SINGLE PROTEIN), Cavia porcellus
UniProt: Q63931
Assay: Displacement of [125I]BH-CCK8 from CCK1 receptor in Hartley guinea pig cerebral cortex
Measurement: IC50 = 14700 nM (pChEMBL 4.829999923706055)
Descriptors: MW 393.44, ALogP 3.65, HBA 3, HBD 4, PSA 111.29, QED 0.49
Compound (SMILES): O=C(Nc1ccccc1)c1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1
InChIKey: TYPSCFPZXIHDPG-UHFFFAOYSA-N
Target: Cannabinoid receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34972
Assay: Displacement of [3H]WIN-55212-2 from human recombinant cannabinoid CB2 receptor expressed in CHOK1 cells by liquid scintillation spectrometry
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 705.83, ALogP 9.64, HBA 6, HBD 1, PSA 85.84, QED 0.18
Compound (SMILES): O=C(Nc1ccccc1)c1c(-c2nnc(C3(C(F)(F)F)CC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1
InChIKey: VRSCBRXOYCDODK-UHFFFAOYSA-N
Target: Cannabinoid receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34972
Assay: Displacement of [3H]WIN-55212-2 from human recombinant cannabinoid CB2 receptor expressed in CHOK1 cells by liquid scintillation spectrometry
Measurement: IC50 = 488 nM (pChEMBL 6.309999942779541)
Descriptors: MW 663.28, ALogP 8.5, HBA 6, HBD 1, PSA 85.84, QED 0.2
Compound (SMILES): N#C[Se-].[Na+]
InChIKey: IBJRLHARKKQREK-UHFFFAOYSA-M
Target: Carbonic anhydrase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P00918
Assay: Inhibition of human recombinant carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow assay
Measurement: Ki = 86000 nM (pChEMBL 4.070000171661377)
Descriptors: MW 105.99
Compound (SMILES): S=C([S-])[S-].[Na+].[Na+]
InChIKey: USAIOOFEIMNEDN-UHFFFAOYSA-L
Target: Carbonic anhydrase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P00918
Assay: Inhibition of human recombinant carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow assay
Measurement: Ki = 8800 nM (pChEMBL 5.059999942779541)
Descriptors: MW 110.23, ALogP 1.13, HBA 1, HBD 2, PSA 0, QED 0.35
Compound (SMILES): COc1cccc2oc(=O)c(Cc3ccccc3)cc12
InChIKey: XJSXZFXFKVCTQS-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 19100 nM (pChEMBL 4.71999979019165)
Descriptors: MW 266.3, ALogP 3.39, HBA 3, HBD 0, PSA 39.44, QED 0.68
Compound (SMILES): COc1ccc2oc(=O)c(Cc3ccccc3)cc2c1
InChIKey: JKXJVLQFGQBEQF-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki >= 10000 nM (pChEMBL 5)
Descriptors: MW 266.3, ALogP 3.39, HBA 3, HBD 0, PSA 39.44, QED 0.68
Compound (SMILES): COc1ccc2oc(=O)c(C)cc2c1
InChIKey: DCILGSCUIBKXBX-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 190.2, ALogP 2.11, HBA 3, HBD 0, PSA 39.44, QED 0.65
Compound (SMILES): O=c1oc2ccc(I)cc2cc1Cc1ccccc1
InChIKey: QDODXLKHZZZCBV-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 362.17, ALogP 3.99, HBA 2, HBD 0, PSA 30.21, QED 0.51
Compound (SMILES): Cc1cc2cc(I)ccc2oc1=O
InChIKey: BFLNDZDGFIJKQP-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 286.07, ALogP 2.71, HBA 2, HBD 0, PSA 30.21, QED 0.55
Compound (SMILES): Cc1cc2cc(Cl)cc(Br)c2oc1=O
InChIKey: SITHDQSYVFDQJJ-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki >= 10000 nM (pChEMBL 5)
Descriptors: MW 273.51, ALogP 3.52, HBA 2, HBD 0, PSA 30.21, QED 0.69
Compound (SMILES): O=c1oc2ccc([N+](=O)[O-])cc2cc1Cc1ccccc1
InChIKey: FZFKCPVYRKGVBL-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 281.27, ALogP 3.29, HBA 4, HBD 0, PSA 73.35, QED 0.42
Compound (SMILES): COc1ccc2cc(Cc3ccccc3)c(=O)oc2c1
InChIKey: QPWFLKNRFVJYCW-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 266.3, ALogP 3.39, HBA 3, HBD 0, PSA 39.44, QED 0.68
Compound (SMILES): NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CC[C@H](O)C3
InChIKey: NWIALXFYKPFWTR-VYOKXSSZSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 386.49, ALogP 1.44, HBA 5, HBD 4, PSA 107.02, QED 0.63
Compound (SMILES): C[N+]1(CC2CC2)CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.[I-]
InChIKey: RQAMRLUMGMUCFS-FQRXUBFDSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 383.47, ALogP 1.06, HBA 4, HBD 2, PSA 89.62, QED 0.76
Compound (SMILES): C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.[I-]
InChIKey: VYZRRRRJXDLIFG-KNLJMPJLSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
Measurement: Ki = 900 nM (pChEMBL 6.050000190734863)
Descriptors: MW 356.44, ALogP 1.67, HBA 4, HBD 2, PSA 66.76, QED 0.79
Compound (SMILES): Cl.O=C(/C=C/c1ccc(-c2cc(CN3CCOCC3)on2)cc1)NO
InChIKey: NIBBVANAWUQEHK-ZIKNSQGESA-N
Target: Histone deacetylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92769
Assay: Inhibition of human HDAC2
Measurement: IC50 = 13200 nM (pChEMBL 4.880000114440918)
Descriptors: MW 329.36, ALogP 1.69, HBA 6, HBD 2, PSA 87.83, QED 0.49
Compound (SMILES): CCc1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIKey: BUQGJALCBYKRRC-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response
Measurement: IC50 = 356 nM (pChEMBL 6.449999809265137)
Descriptors: MW 291.27, ALogP 4.93, HBA 2, HBD 0, PSA 33.02, QED 0.8
Compound (SMILES): CCCc1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIKey: JDWLYJIAXKLEJX-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response
Measurement: IC50 = 303 nM (pChEMBL 6.519999980926514)
Descriptors: MW 305.3, ALogP 5.32, HBA 2, HBD 0, PSA 33.02, QED 0.77
Compound (SMILES): CSCC[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(=O)O
InChIKey: XSKRQUQMIKQJIM-QGZVFWFLSA-N
Target: Cholecystokinin receptor type A (SINGLE PROTEIN), Cavia porcellus
UniProt: Q63931
Assay: Displacement of [125I]BH-CCK8 from CCK1 receptor in Hartley guinea pig cerebral cortex
Measurement: IC50 = 11400 nM (pChEMBL 4.940000057220459)
Descriptors: MW 411.48, ALogP 3.36, HBA 4, HBD 4, PSA 111.29, QED 0.45
Compound (SMILES): CC(C)NC(=O)c1cc2ccccc2oc1=O
InChIKey: DYFRHCOMCPYXPQ-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human recombinant MAO-A assessed as H2O2 production using p-tyramine substrate by fluorimetric method
Measurement: IC50 = 35510 nM (pChEMBL 4.449999809265137)
Descriptors: MW 231.25, ALogP 1.93, HBA 3, HBD 1, PSA 59.31, QED 0.8
Compound (SMILES): COc1ccc2cc(C)c(=O)oc2c1
InChIKey: LMFMSNMYCXCPRY-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki >= 10000 nM (pChEMBL 5)
Descriptors: MW 190.2, ALogP 2.11, HBA 3, HBD 0, PSA 39.44, QED 0.65
Compound (SMILES): COc1cccc2cc(Cc3ccccc3)c(=O)oc12
InChIKey: BLDPWZKMVHRYSQ-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki >= 10000 nM (pChEMBL 5)
Descriptors: MW 266.3, ALogP 3.39, HBA 3, HBD 0, PSA 39.44, QED 0.68
Compound (SMILES): COc1cccc2cc(C)c(=O)oc12
InChIKey: QGOAKPLHVMJIHK-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki >= 10000 nM (pChEMBL 5)
Descriptors: MW 190.2, ALogP 2.11, HBA 3, HBD 0, PSA 39.44, QED 0.65
Compound (SMILES): COc1cc(C)cc2oc(=O)c(Cc3ccccc3)cc12
InChIKey: AOPKGUPAQXHRKK-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 3460 nM (pChEMBL 5.460000038146973)
Descriptors: MW 280.32, ALogP 3.7, HBA 3, HBD 0, PSA 39.44, QED 0.69
Compound (SMILES): COc1cc(C)cc2oc(=O)c(Cc3ccccc3C)cc12
InChIKey: VXKGVRNBJREILW-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 1170 nM (pChEMBL 5.929999828338623)
Descriptors: MW 294.35, ALogP 4.01, HBA 3, HBD 0, PSA 39.44, QED 0.69
Compound (SMILES): COc1cc(C)cc2oc(=O)c(Cc3ccc(C)cc3)cc12
InChIKey: BYYVCBDELDRXCQ-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 9140 nM (pChEMBL 5.039999961853027)
Descriptors: MW 294.35, ALogP 4.01, HBA 3, HBD 0, PSA 39.44, QED 0.69
Compound (SMILES): COc1cc(C)cc2oc(=O)c(Cc3ccccc3Cl)cc12
InChIKey: KYNYWAHSCCACJF-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 978 nM (pChEMBL 6.010000228881836)
Descriptors: MW 314.77, ALogP 4.35, HBA 3, HBD 0, PSA 39.44, QED 0.67
Compound (SMILES): CC(C)(C)C(=O)Nc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\O)C(=O)N2
InChIKey: QVJYGMLAIWRCFT-IHDYSDQQSA-N
Target: Insulin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06213
Assay: Inhibition of IRK (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate reader analysis
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 376.42, ALogP 3.64, HBA 5, HBD 4, PSA 102.82, QED 0.35
Compound (SMILES): NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CC1)CC3
InChIKey: XMMYBZHHAZNWDZ-TYCQWZJGSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki = 0.29 nM (pChEMBL 9.539999961853027)
Descriptors: MW 356.47, ALogP 2.07, HBA 4, HBD 3, PSA 86.79, QED 0.77
Compound (SMILES): NC(=O)c1ccc2c3c1O[C@H]1CCC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey: BCCCNPNAGFNEMJ-VAKZPMALSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
Measurement: Ki = 630 nM (pChEMBL 6.199999809265137)
Descriptors: MW 354.45, ALogP 1.74, HBA 4, HBD 2, PSA 75.79, QED 0.87
Compound (SMILES): Oc1ccc2c3c1O[C@H]1CCC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey: XBPQMXFKKJADMC-WOUAJJJCSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
Measurement: Ki = 79 nM (pChEMBL 7.099999904632568)
Descriptors: MW 327.42, ALogP 2.35, HBA 4, HBD 2, PSA 52.93, QED 0.88
Compound (SMILES): CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1ccc(C(N)=O)c(O)c13
InChIKey: KIBALXBELNWKRK-IYOUNJFTSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki = 2.3 nM (pChEMBL 8.640000343322754)
Descriptors: MW 314.38, ALogP 1.36, HBA 4, HBD 2, PSA 83.63, QED 0.82
Compound (SMILES): CN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5
InChIKey: BSIMUCFMGOYWKP-GWLLULGVSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 312.37, ALogP 1.02, HBA 4, HBD 1, PSA 72.63, QED 0.84
Compound (SMILES): Cc1cccc(C)c1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIKey: WGPKLDKIJUOVQB-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response
Measurement: IC50 = 681 nM (pChEMBL 6.170000076293945)
Descriptors: MW 291.27, ALogP 4.99, HBA 2, HBD 0, PSA 33.02, QED 0.78
Compound (SMILES): Cc1cc(C)c(Oc2ccc(C#N)c(C(F)(F)F)c2)c(C)c1
InChIKey: XMMDWVWTOYZZAJ-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response
Measurement: IC50 = 812 nM (pChEMBL 6.090000152587891)
Descriptors: MW 305.3, ALogP 5.29, HBA 2, HBD 0, PSA 33.02, QED 0.75
Compound (SMILES): N#Cc1ccc(Oc2ccccc2O)cc1C(F)(F)F
InChIKey: OILQEGDAOXVJJG-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response
Measurement: IC50 = 97 nM (pChEMBL 7.010000228881836)
Descriptors: MW 279.22, ALogP 4.07, HBA 3, HBD 1, PSA 53.25, QED 0.9
Compound (SMILES): CSc1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIKey: BHGCWADCRHBUMS-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system
Measurement: IC50 = 74 nM (pChEMBL 7.130000114440918)
Descriptors: MW 309.31, ALogP 5.09, HBA 3, HBD 0, PSA 33.02, QED 0.74
Compound (SMILES): CCOc1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIKey: CQLBTXZQYBMHPR-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 307.27, ALogP 4.77, HBA 3, HBD 0, PSA 42.25, QED 0.82
Compound (SMILES): CCSc1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIKey: BEAKSVZSFNBSKW-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response
Measurement: IC50 = 545 nM (pChEMBL 6.260000228881836)
Descriptors: MW 323.34, ALogP 5.48, HBA 3, HBD 0, PSA 33.02, QED 0.7
Compound (SMILES): CC(=O)Nc1cccc(C(C)(C)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)c1
InChIKey: GMHDPRHDMOFAGT-FGZHOGPDSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P21554
Assay: Binding affinity to CB1 receptor
Measurement: Ki = 13.7 nM (pChEMBL 7.860000133514404)
Descriptors: MW 419.57, ALogP 6.29, HBA 3, HBD 2, PSA 58.56, QED 0.58
Compound (SMILES): CCN1CCC(COc2nc3ccsc3n3cccc23)CC1
InChIKey: RZFPSYUVZCCIFI-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin form human recombinant 5HT2A receptor
Measurement: IC50 = 8128.31 nM (pChEMBL 5.090000152587891)
Descriptors: MW 315.44, ALogP 3.66, HBA 5, HBD 0, PSA 29.77, QED 0.74
Compound (SMILES): CCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1
InChIKey: CZPMNOSNQHHGTD-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 2C (SINGLE PROTEIN), Homo sapiens
UniProt: P28335
Assay: Displacement of [3H]mesulergine from human recombinant 5HT2C receptor
Measurement: IC50 = 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 343.5, ALogP 4.44, HBA 5, HBD 0, PSA 29.77, QED 0.66
Compound (SMILES): Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
InChIKey: XUNAVIWFCXQWCJ-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human recombinant MAOA expressed in BTI-TN-5B1-4 cells assessed as effect on H2O2 production from para-tyramine by fluorimetric method
Measurement: IC50 = 14500 nM (pChEMBL 4.840000152587891)
Descriptors: MW 279.3, ALogP 3.35, HBA 3, HBD 1, PSA 59.31, QED 0.73
Compound (SMILES): COc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
InChIKey: OJCPTZMTRMJDRI-UHFFFAOYSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 10000 nM (pChEMBL 5)
Descriptors: MW 295.29, ALogP 3.05, HBA 4, HBD 1, PSA 68.54, QED 0.75
Compound (SMILES): COc1cc(C)cc2oc(=O)c(Cc3ccc(Cl)cc3)cc12
InChIKey: HNOFZUCEULARCR-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 2080 nM (pChEMBL 5.679999828338623)
Descriptors: MW 314.77, ALogP 4.35, HBA 3, HBD 0, PSA 39.44, QED 0.67
Compound (SMILES): COc1cc(C)cc2oc(=O)c(Cc3ccccc3O)cc12
InChIKey: IAOUMGUALHWWEB-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 296.32, ALogP 3.41, HBA 4, HBD 1, PSA 59.67, QED 0.75
Compound (SMILES): COc1ccccc1Cc1cc2c(OC)cc(C)cc2oc1=O
InChIKey: OTEMHRZNNDODDW-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 738 nM (pChEMBL 6.130000114440918)
Descriptors: MW 310.35, ALogP 3.71, HBA 4, HBD 0, PSA 48.67, QED 0.69
Compound (SMILES): COc1ccc(Cc2cc3c(OC)cc(C)cc3oc2=O)cc1
InChIKey: OZRLYIYCLOJIFZ-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 6140 nM (pChEMBL 5.210000038146973)
Descriptors: MW 310.35, ALogP 3.71, HBA 4, HBD 0, PSA 48.67, QED 0.69
Compound (SMILES): COc1cccc(Cc2cc3c(OC)cc(C)cc3oc2=O)c1
InChIKey: HTEXDGOVTRCXOT-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 4110 nM (pChEMBL 5.389999866485596)
Descriptors: MW 310.35, ALogP 3.71, HBA 4, HBD 0, PSA 48.67, QED 0.69
Compound (SMILES): COc1ccccc1Cc1cc2c(OC)cccc2oc1=O
InChIKey: PUMXCXWQMAPHFQ-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 9570 nM (pChEMBL 5.019999980926514)
Descriptors: MW 296.32, ALogP 3.4, HBA 4, HBD 0, PSA 48.67, QED 0.69
Compound (SMILES): c1ccc2cc(CO[C@H]3CCNC3)ccc2c1
InChIKey: IQZVBBALTJFFCB-HNNXBMFYSA-N
Target: Sodium-dependent noradrenaline transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P23975
Assay: Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells
Measurement: IC50 = 2900 nM (pChEMBL 5.539999961853027)
Descriptors: MW 227.31, ALogP 2.72, HBA 2, HBD 1, PSA 21.26, QED 0.87
Compound (SMILES): c1ccc2cc(CO[C@@H]3CCNC3)ccc2c1
InChIKey: IQZVBBALTJFFCB-OAHLLOKOSA-N
Target: Sodium-dependent noradrenaline transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P23975
Assay: Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 227.31, ALogP 2.72, HBA 2, HBD 1, PSA 21.26, QED 0.87
Compound (SMILES): N#Cc1ccc2cc(CO[C@H]3CCNC3)ccc2c1
InChIKey: KZMOSMDAUNHNBH-INIZCTEOSA-N
Target: Sodium-dependent noradrenaline transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P23975
Assay: Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells
Measurement: IC50 = 6800 nM (pChEMBL 5.170000076293945)
Descriptors: MW 252.32, ALogP 2.59, HBA 3, HBD 1, PSA 45.05, QED 0.91
Compound (SMILES): Fc1ccc2cc(CO[C@@H]3CCNC3)ccc2c1
InChIKey: LMGLVWVNPWWAAK-OAHLLOKOSA-N
Target: Sodium-dependent noradrenaline transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P23975
Assay: Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells
Measurement: IC50 = 10600 nM (pChEMBL 4.96999979019165)
Descriptors: MW 245.3, ALogP 2.86, HBA 2, HBD 1, PSA 21.26, QED 0.9
Compound (SMILES): CCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIKey: QBEXADKSFJNYHO-UHFFFAOYSA-N
Target: Sodium-dependent noradrenaline transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P23975
Assay: Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 318.44, ALogP 2.6, HBA 3, HBD 1, PSA 49.41, QED 0.94
Compound (SMILES): CCCCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIKey: BGQYUSCFJWWBHR-UHFFFAOYSA-N
Target: Sodium-dependent noradrenaline transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P23975
Assay: Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells
Measurement: IC50 = 40000 nM (pChEMBL 4.400000095367432)
Descriptors: MW 346.5, ALogP 3.38, HBA 3, HBD 1, PSA 49.41, QED 0.87
Compound (SMILES): NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3
InChIKey: SYDFANRJNFCVKV-GDKKVTFASA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
Measurement: Ki = 0.025 nM (pChEMBL 10.600000381469727)
Descriptors: MW 443.55, ALogP 2.78, HBA 4, HBD 4, PSA 102.58, QED 0.5
Compound (SMILES): NC(=O)c1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey: GXKIGKDMKQQKJN-GYHUNEDQSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
Measurement: Ki = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 441.53, ALogP 2.97, HBA 4, HBD 3, PSA 91.58, QED 0.58
Compound (SMILES): COc1cccc(OC)c1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIKey: XMSNLWSZWZJHBU-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 323.27, ALogP 4.39, HBA 4, HBD 0, PSA 51.48, QED 0.84
Compound (SMILES): COc1cc(C)ccc1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIKey: CYANSKHXCRJRPW-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response
Measurement: IC50 = 299 nM (pChEMBL 6.519999980926514)
Descriptors: MW 307.27, ALogP 4.69, HBA 3, HBD 0, PSA 42.25, QED 0.83
Compound (SMILES): COc1ccc(C)cc1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIKey: CSJBXXQQAHUMKJ-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response
Measurement: IC50 = 482 nM (pChEMBL 6.320000171661377)
Descriptors: MW 307.27, ALogP 4.69, HBA 3, HBD 0, PSA 42.25, QED 0.83
Compound (SMILES): COc1ccc(CO)cc1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIKey: IUDWLWLSWMQDHX-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 323.27, ALogP 3.87, HBA 4, HBD 1, PSA 62.48, QED 0.93
Compound (SMILES): Cc1cc(F)ccc1OCc1cc(C(=O)NCCO)cc(N2CCOCC2)n1
InChIKey: HWBOIVHQYYAQGP-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P48736
Assay: Inhibition of PI3Kgamma by luminescent kinase glo assay
Measurement: IC50 >= 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 389.43, ALogP 1.67, HBA 6, HBD 2, PSA 83.92, QED 0.75
Compound (SMILES): CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](CC)C2)c(Cl)c1
InChIKey: XQWKNLJIWOTOKT-QFIPXVFZSA-N
Target: C-X-C chemokine receptor type 3 (SINGLE PROTEIN), Mus musculus
UniProt: O88410
Assay: Antagonist activity at mouse CXCR3
Measurement: IC50 = 0.5 nM (pChEMBL 9.300000190734863)
Descriptors: MW 504.51, ALogP 4.7, HBA 5, HBD 1, PSA 51.71, QED 0.59
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2oc1=O
InChIKey: JXUJVKNPEQUAAV-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cell microsomes assessed as p-tyramine conversion to resorufin and H2O2 after 15 mins by fluorimetric assay
Measurement: IC50 = 3300 nM (pChEMBL 5.480000019073486)
Descriptors: MW 333.27, ALogP 4.06, HBA 3, HBD 1, PSA 59.31, QED 0.72
Compound (SMILES): Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIKey: RYYPYTSGWXNKDU-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells assessed as effect on H2O2 production from para-tyramine by fluorimetric method
Measurement: IC50 = 710 nM (pChEMBL 6.150000095367432)
Descriptors: MW 279.3, ALogP 3.35, HBA 3, HBD 1, PSA 59.31, QED 0.73
Compound (SMILES): CCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIKey: CCRNXJJERVYHEO-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells assessed as effect on H2O2 production from para-tyramine by fluorimetric method
Measurement: IC50 = 890 nM (pChEMBL 6.050000190734863)
Descriptors: MW 293.32, ALogP 3.61, HBA 3, HBD 1, PSA 59.31, QED 0.75
Compound (SMILES): CC(C)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIKey: BIOLFVSCKKADAP-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells assessed as effect on H2O2 production from para-tyramine by fluorimetric method
Measurement: IC50 = 650 nM (pChEMBL 6.190000057220459)
Descriptors: MW 307.35, ALogP 4.17, HBA 3, HBD 1, PSA 59.31, QED 0.74
Compound (SMILES): COc1ccc(Cc2cc3c(OC)cc(C)cc3oc2=O)c(OC)c1
InChIKey: SOMLEGUAILPIRQ-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 6230 nM (pChEMBL 5.210000038146973)
Descriptors: MW 340.38, ALogP 3.72, HBA 5, HBD 0, PSA 57.9, QED 0.66
Compound (SMILES): COc1ccccc1Cc1cc2c(OC)ccc(C)c2oc1=O
InChIKey: WYBABKIXNZERSL-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 12300 nM (pChEMBL 4.909999847412109)
Descriptors: MW 310.35, ALogP 3.71, HBA 4, HBD 0, PSA 48.67, QED 0.69
Compound (SMILES): COc1ccccc1Cc1cc2c(C(C)C)ccc(C)c2oc1=O
InChIKey: LETCVVHTUNUZFS-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 6180 nM (pChEMBL 5.210000038146973)
Descriptors: MW 322.4, ALogP 4.82, HBA 3, HBD 0, PSA 39.44, QED 0.65
Compound (SMILES): COc1ccc(Br)c2oc(=O)c(Cc3ccccc3)cc12
InChIKey: OPRKTEJKHGVKBY-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 345.19, ALogP 4.15, HBA 3, HBD 0, PSA 39.44, QED 0.67
Compound (SMILES): Cc1ccc(C(C)C)c2cc(Cc3ccccc3)c(=O)oc12
InChIKey: PFSLDHWSUPFZPK-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki = 2760 nM (pChEMBL 5.559999942779541)
Descriptors: MW 292.38, ALogP 4.82, HBA 2, HBD 0, PSA 30.21, QED 0.65
Compound (SMILES): Cc1cc2c(C(C)C)ccc(C)c2oc1=O
InChIKey: FWQVSIMNEDPTRV-UHFFFAOYSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P20272
Assay: Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 216.28, ALogP 3.53, HBA 2, HBD 0, PSA 30.21, QED 0.68
Compound (SMILES): CN([C@@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1
InChIKey: ZCVDRKAWDMMKKP-CQSZACIVSA-N
Target: Sodium-dependent noradrenaline transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P23975
Assay: Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells
Measurement: IC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 290.39, ALogP 1.82, HBA 3, HBD 1, PSA 49.41, QED 0.94
Compound (SMILES): CCN([C@@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1
InChIKey: PEOZAOHZZSCNEV-OAHLLOKOSA-N
Target: Sodium-dependent noradrenaline transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P23975
Assay: Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells
Measurement: IC50 = 2600 nM (pChEMBL 5.579999923706055)
Descriptors: MW 304.42, ALogP 2.21, HBA 3, HBD 1, PSA 49.41, QED 0.94
Compound (SMILES): CCCCN([C@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1
InChIKey: HLQQIEZMTRFYMO-KRWDZBQOSA-N
Target: Sodium-dependent noradrenaline transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P23975
Assay: Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells
Measurement: IC50 = 5600 nM (pChEMBL 5.25)
Descriptors: MW 332.47, ALogP 2.99, HBA 3, HBD 1, PSA 49.41, QED 0.88
Compound (SMILES): CN(Cc1ccc2ccccc2c1)[C@@H]1CCNC1
InChIKey: MLXZSGRSLJXYNT-MRXNPFEDSA-N
Target: Sodium-dependent noradrenaline transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P23975
Assay: Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells
Measurement: IC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 240.35, ALogP 2.63, HBA 2, HBD 1, PSA 15.27, QED 0.89
Compound (SMILES): CC(C)CN(Cc1ccc2ccccc2c1)[C@@H]1CCNC1
InChIKey: OZOVADGYFYTOAE-LJQANCHMSA-N
Target: Sodium-dependent noradrenaline transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P23975
Assay: Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 282.43, ALogP 3.66, HBA 2, HBD 1, PSA 15.27, QED 0.9
Compound (SMILES): CN(Cc1ccc2ccccc2c1)[C@H]1CCNC1
InChIKey: MLXZSGRSLJXYNT-INIZCTEOSA-N
Target: Sodium-dependent noradrenaline transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P23975
Assay: Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells
Measurement: IC50 = 5400 nM (pChEMBL 5.269999980926514)
Descriptors: MW 240.35, ALogP 2.63, HBA 2, HBD 1, PSA 15.27, QED 0.89
Compound (SMILES): Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5)CC3)cccc2n1
InChIKey: DSRZHYGLARQICV-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1B (SINGLE PROTEIN), Homo sapiens
UniProt: P28222
Assay: Antagonist activity at human 5HT1B assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT
Measurement: Ki = 1 nM (pChEMBL 9)
Descriptors: MW 402.5, ALogP 3.24, HBA 5, HBD 1, PSA 57.7, QED 0.73
Compound (SMILES): Cc1ccc(O)c(Oc2ccc(C#N)c(C(F)(F)F)c2)c1
InChIKey: WBMFXRZCHSUGAT-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response
Measurement: IC50 = 811 nM (pChEMBL 6.090000152587891)
Descriptors: MW 293.24, ALogP 4.38, HBA 3, HBD 1, PSA 53.25, QED 0.89
Compound (SMILES): COc1cccc(F)c1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIKey: QCNNYHRGOJVTJG-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system
Measurement: IC50 = 158 nM (pChEMBL 6.800000190734863)
Descriptors: MW 311.23, ALogP 4.52, HBA 3, HBD 0, PSA 42.25, QED 0.78
Compound (SMILES): NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4c(F)cccc4F)c3s2)cc1
InChIKey: HGZQTJZFKROIJB-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Inhibition of CDK1
Measurement: IC50 = 19800 nM (pChEMBL 4.699999809265137)
Descriptors: MW 434.45, ALogP 3.5, HBA 8, HBD 3, PSA 122.89, QED 0.44
Compound (SMILES): Cc1cc(F)ccc1OCc1cc(C(=O)NO)cc(N2CCOCC2)n1
InChIKey: JJTTYSKPHJJDFZ-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P48736
Assay: Inhibition of PI3Kgamma by luminescent kinase glo assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 361.37, ALogP 2.06, HBA 6, HBD 2, PSA 83.92, QED 0.63
Compound (SMILES): Cc1cc(F)ccc1OCc1cc(C(N)=O)cc(N2CCOCC2)n1
InChIKey: NVHHPSXYWLJSOC-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P48736
Assay: Inhibition of PI3Kgamma by luminescent kinase glo assay
Measurement: IC50 < 10000 nM (pChEMBL 5)
Descriptors: MW 345.37, ALogP 2.04, HBA 5, HBD 1, PSA 77.68, QED 0.9
Compound (SMILES): Cc1cc(F)ccc1OCc1cc(C(=O)O)cc(N2CCOCC2)n1
InChIKey: VQBFRRZTUCYEPI-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P48736
Assay: Inhibition of PI3Kgamma by luminescent kinase glo assay
Measurement: IC50 = 23000 nM (pChEMBL 4.639999866485596)
Descriptors: MW 346.36, ALogP 2.64, HBA 5, HBD 1, PSA 71.89, QED 0.9
Compound (SMILES): CSc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIKey: AHNZZEDQUVBETI-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells assessed as effect on H2O2 production from para-tyramine by fluorimetric method
Measurement: IC50 = 2840 nM (pChEMBL 5.550000190734863)
Descriptors: MW 311.36, ALogP 3.77, HBA 4, HBD 1, PSA 59.31, QED 0.59
Compound (SMILES): O=C(Nc1ccc(F)cc1)c1cc2ccccc2oc1=O
InChIKey: NBXFKAVYIKTFOG-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells assessed as effect on H2O2 production from para-tyramine by fluorimetric method
Measurement: IC50 = 67 nM (pChEMBL 7.170000076293945)
Descriptors: MW 283.26, ALogP 3.18, HBA 3, HBD 1, PSA 59.31, QED 0.73