lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIKey: NALXJECTZSGYJG-ZVBGSRNCSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 483.16, ALogP 4.28, HBA 4, HBD 3, PSA 90.79, QED 0.44
Compound (SMILES): COc1ccc(C/C(C)=N/NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIKey: JMOUVZGKNZAYLJ-LDADJPATSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 10000 nM (pChEMBL 5)
Descriptors: MW 397.29, ALogP 3.35, HBA 4, HBD 1, PSA 67.76, QED 0.6
Compound (SMILES): CC1CCC/C(=N\NC(=O)COc2ccc(Cl)cc2Cl)C1
InChIKey: OHINBUMHDDOGKO-LDADJPATSA-N
Target: DNA polymerase beta (SINGLE PROTEIN), Homo sapiens
UniProt: P06746
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 
Measurement: Potency = 2238.7 nM (pChEMBL 5.650000095367432)
Descriptors: MW 329.23, ALogP 4.05, HBA 3, HBD 1, PSA 50.69, QED 0.85
Compound (SMILES): Cc1cccc(NCC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)c1
InChIKey: KKVRXZVXWOZFBU-IWIPYMOSSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 3981.1 nM (pChEMBL 5.400000095367432)
Descriptors: MW 359.43, ALogP 4.35, HBA 4, HBD 2, PSA 62.72, QED 0.49
Compound (SMILES): Fc1ccc(/N=c2\ssnc2Cl)c(F)c1
InChIKey: CFHBCHPPTGZOPK-WQLSENKSSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 5011.9 nM (pChEMBL 5.300000190734863)
Descriptors: MW 264.71, ALogP 3.37, HBA 4, HBD 0, PSA 25.25, QED 0.73
Compound (SMILES): CCN1/C(=N\N)c2cccc3cccc1c23
InChIKey: DFSVZXRNYAZIHU-SQFISAMPSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 7943.3 nM (pChEMBL 5.099999904632568)
Descriptors: MW 211.27, ALogP 2.3, HBA 2, HBD 1, PSA 41.62, QED 0.58
Compound (SMILES): COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C(=O)O)c1OC
InChIKey: MZOWRDVJTQNQLQ-IUXPMGMMSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 390.31, ALogP 2.66, HBA 9, HBD 2, PSA 166.43, QED 0.39
Compound (SMILES): CC(C)Nc1c(N)c(=O)oc2ccccc12
InChIKey: YFPGSQGDUNVBMD-UHFFFAOYSA-N
Target: Lysosomal alpha-glucosidase (SINGLE PROTEIN), Homo sapiens
UniProt: P10253
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]
Measurement: Potency = 15848.9 nM (pChEMBL 4.800000190734863)
Descriptors: MW 218.26, ALogP 2.2, HBA 4, HBD 2, PSA 68.26, QED 0.76
Compound (SMILES): Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIKey: XFQSHZXLYZCSFS-GHVJWSGMSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 442.56, ALogP 3.76, HBA 4, HBD 0, PSA 83.88, QED 0.44
Compound (SMILES): O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc2ccccc2n1
InChIKey: AWDXYPNDQWGNIR-VXLYETTFSA-N
Target: Lethal(3)malignant brain tumor-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y468
Assay: PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 319.32, ALogP 2.73, HBA 5, HBD 1, PSA 72.81, QED 0.59
Compound (SMILES): Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(Br)s1
InChIKey: XJIUQKPTYXEISN-VGOFMYFVSA-N
Target: Huntingtin (SINGLE PROTEIN), Homo sapiens
UniProt: P42858
Assay: PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 325.19, ALogP 4.48, HBA 4, HBD 0, PSA 55.5, QED 0.47
Compound (SMILES): O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIKey: OHPHJCOGCSDKKA-NTFVMDSBSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 553, ALogP 4.29, HBA 7, HBD 3, PSA 139.1, QED 0.16
Compound (SMILES): C/C(=N\N=C(c1ccccc1)c1ccccc1)c1cccs1
InChIKey: HULVSJVSDJNHLL-HMMYKYKNSA-N
Target: Cytochrome P450 2D6 (SINGLE PROTEIN), Homo sapiens
UniProt: P10635
Assay: PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active
Measurement: AC50 = 14125.38 nM (pChEMBL 4.849999904632568)
Descriptors: MW 304.42, ALogP 5.01, HBA 3, HBD 0, PSA 24.72, QED 0.48
Compound (SMILES): CC1=C(C#N)C(=O)N(C)C(=O)/C1=N\c1ccc(N(C)C)cc1
InChIKey: XNLDSALKXMOTER-JXAWBTAJSA-N
Target: Tyrosyl-DNA phosphodiesterase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NUW8
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) 
Measurement: Potency = 44668.4 nM (pChEMBL 4.349999904632568)
Descriptors: MW 296.33, ALogP 1.66, HBA 5, HBD 0, PSA 76.77, QED 0.78
Compound (SMILES): Sc1nnc(-c2cccs2)n1/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIKey: MTGUYTRWFBBULD-ZMOGYAJESA-N
Target: SUMO-activating enzyme (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9UBT2
Assay: PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2011, AID2018, AID2069, AID2614, AID2658]
Measurement: IC50 = 34480 nM (pChEMBL 4.460000038146973)
Descriptors: MW 462.99, ALogP 5.68, HBA 8, HBD 1, PSA 60.89, QED 0.27
Compound (SMILES): COc1ccc(/C=N/n2c(SC)nnc2-c2ccccc2)cc1C
InChIKey: HBCOFKCWJCOHJQ-XDHOZWIPSA-N
Target: GATA4/NKX2-5 (PROTEIN COMPLEX), Mus musculus
UniProt: Q08369
Assay: Inhibition of mouse GATA4/NKX2-5 transcriptional synergy expressed in African green monkey COS-1 cells measured after 30 hrs by dual luciferase reporter gene assay
Measurement: IC50 = 24000 nM (pChEMBL 4.619999885559082)
Descriptors: MW 338.44, ALogP 3.87, HBA 6, HBD 0, PSA 52.3, QED 0.52
Compound (SMILES): CC(/C=N/Nc1ccc2nncn2n1)=C\c1ccccc1
InChIKey: FHSHFEHQQNGWFW-JXTNESPGSA-N
Target: Troponin, cardiac muscle (PROTEIN COMPLEX), Homo sapiens
UniProt: P45379
Assay: PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response assay for activators of the calcium sensitivity of cardiac Regulated Thin Filaments (RTF). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493008, AID493018, AID504382, AID504383]
Measurement: EC50 > 71467 nM (pChEMBL 4.145999908447266)
Descriptors: MW 278.32, ALogP 2.63, HBA 6, HBD 1, PSA 67.47, QED 0.59
Compound (SMILES): CC(/C=N/Nc1ccc2nncn2n1)=C\c1ccccc1
InChIKey: FHSHFEHQQNGWFW-JXTNESPGSA-N
Target: Troponin, cardiac muscle (PROTEIN COMPLEX), Homo sapiens
UniProt: P19429
Assay: PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response assay for activators of the calcium sensitivity of cardiac Regulated Thin Filaments (RTF). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493008, AID493018, AID504382, AID504383]
Measurement: EC50 > 71467 nM (pChEMBL 4.145999908447266)
Descriptors: MW 278.32, ALogP 2.63, HBA 6, HBD 1, PSA 67.47, QED 0.59
Compound (SMILES): Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cccc(Cl)c4F)[nH]c3Cl)ccc12
InChIKey: HEJKMOSPHXSOAW-FQEVSTJZSA-N
Target: Coagulation factor XI (SINGLE PROTEIN), Homo sapiens
UniProt: P03951
Assay: Inhibition of human coagulation factor 11a at 25 degC
Measurement: Ki = 57 nM (pChEMBL 7.239999771118164)
Descriptors: MW 538.41, ALogP 5.76, HBA 4, HBD 5, PSA 124.51, QED 0.18
Compound (SMILES): Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4c(F)ccc(Cl)c4F)[nH]c3Cl)ccc12
InChIKey: OCMFFWCGTBFTPW-FQEVSTJZSA-N
Target: Coagulation factor XI (SINGLE PROTEIN), Homo sapiens
UniProt: P03951
Assay: Inhibition of human coagulation factor 11a at 25 degC
Measurement: Ki = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 556.4, ALogP 5.9, HBA 4, HBD 5, PSA 124.51, QED 0.16
Compound (SMILES): NCc1ccc(Cl)cc1CNC(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc3c(N)n[nH]c3c2)c(Cl)[nH]1
InChIKey: PKKLAAQPYSEUAW-QFIPXVFZSA-N
Target: Coagulation factor XI (SINGLE PROTEIN), Homo sapiens
UniProt: P03951
Assay: Inhibition of human coagulation factor 11a at 25 degC
Measurement: Ki = 5.8 nM (pChEMBL 8.239999771118164)
Descriptors: MW 549.47, ALogP 5.08, HBA 5, HBD 6, PSA 150.53, QED 0.16
Compound (SMILES): Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4-n4cnnn4)[nH]c3Cl)ccc12
InChIKey: LCVIWSIVTGTOCS-NRFANRHFSA-N
Target: Coagulation factor XI (SINGLE PROTEIN), Homo sapiens
UniProt: P03951
Assay: Inhibition of human coagulation factor 11a at 25 degC
Measurement: Ki = 1.5 nM (pChEMBL 8.819999694824219)
Descriptors: MW 588.46, ALogP 4.6, HBA 8, HBD 5, PSA 168.11, QED 0.17
Compound (SMILES): Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4-n4cccn4)[nH]c3Cl)ccc12
InChIKey: ZTWCMSKJJMBCDA-QHCPKHFHSA-N
Target: Coagulation factor XI (SINGLE PROTEIN), Homo sapiens
UniProt: P03951
Assay: Inhibition of human coagulation factor 11a at 25 degC
Measurement: Ki = 450 nM (pChEMBL 6.349999904632568)
Descriptors: MW 586.49, ALogP 5.81, HBA 6, HBD 5, PSA 142.33, QED 0.15
Compound (SMILES): Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4-n4cncn4)[nH]c3Cl)ccc12
InChIKey: ZZZGIEGZRFVYAX-QFIPXVFZSA-N
Target: Coagulation factor XI (SINGLE PROTEIN), Homo sapiens
UniProt: P03951
Assay: Inhibition of human coagulation factor 11a at 25 degC
Measurement: Ki = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 587.48, ALogP 5.21, HBA 7, HBD 5, PSA 155.22, QED 0.16
Compound (SMILES): COC(=O)Nc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1
InChIKey: WGSFSUZPGGHIJB-QFIPXVFZSA-N
Target: Coagulation factor XI (SINGLE PROTEIN), Homo sapiens
UniProt: P03951
Assay: Inhibition of human coagulation factor 11a at 25 degC
Measurement: Ki = 3.4 nM (pChEMBL 8.470000267028809)
Descriptors: MW 606.47, ALogP 5.32, HBA 8, HBD 4, PSA 151.74, QED 0.18
Compound (SMILES): COC(=O)Nc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)CCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1
InChIKey: QPRIEKZFCOMXST-QHCPKHFHSA-N
Target: Coagulation factor XI (SINGLE PROTEIN), Homo sapiens
UniProt: P03951
Assay: Enzyme Activity Assay: Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6000, 50 mM HEPES-NaOH (pH7.4) with 300 μM S-2366 (pyroGlu-Pro-Arg-pNA, Chromogenix).
Measurement: IC50 = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 605.49, ALogP 5.57, HBA 8, HBD 3, PSA 139.71, QED 0.19
Compound (SMILES): COC(=O)Nc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1
InChIKey: GLCBWRQIUCCILC-PZVJUEDKSA-N
Target: Coagulation factor XI (SINGLE PROTEIN), Homo sapiens
UniProt: P03951
Assay: Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometry
Measurement: Ki = 3.7 nM (pChEMBL 8.430000305175781)
Descriptors: MW 603.47, ALogP 5.65, HBA 8, HBD 3, PSA 139.71, QED 0.19
Compound (SMILES): COC(=O)Nc1ccc(-c2c[nH]c([C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)n2)cc1
InChIKey: BQHFFACTAJVDNI-WXQAMHPUSA-N
Target: Coagulation factor XI (SINGLE PROTEIN), Homo sapiens
UniProt: P03951
Assay: Inhibition of human coagulation factor 11a at 25 degC
Measurement: Ki = 6.7 nM (pChEMBL 8.170000076293945)
Descriptors: MW 569.03, ALogP 5, HBA 8, HBD 3, PSA 139.71, QED 0.21
Compound (SMILES): Nc1n[nH]c2cc(-c3c[nH]c([C@H](Cc4ccccc4)NC(=O)/C=C/c4cc(Cl)ccc4-n4cnnn4)n3)ccc12
InChIKey: SSIRUUYXDLDNRC-BVRWQAIYSA-N
Target: Coagulation factor XI (SINGLE PROTEIN), Homo sapiens
UniProt: P03951
Assay: Inhibition of human coagulation factor 11a at 37 degC
Measurement: Ki = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 551.01, ALogP 4.28, HBA 8, HBD 4, PSA 156.08, QED 0.21
Compound (SMILES): Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)/C=C/c4cc(Cl)ccc4-n4cnnn4)[nH]c3Cl)ccc12
InChIKey: ATVFYMVTZBUXET-NDEHPHGNSA-N
Target: Coagulation factor XI (SINGLE PROTEIN), Homo sapiens
UniProt: P03951
Assay: Inhibition of human coagulation factor 11a at 25 degC
Measurement: Ki = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 585.46, ALogP 4.93, HBA 8, HBD 4, PSA 156.08, QED 0.18
Compound (SMILES): CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1
InChIKey: ADRYJOXPOBMWLF-UHFFFAOYSA-N
Target: Sphingosine 1-phosphate receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95136
Assay: Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
Measurement: IC50 = 2200 nM (pChEMBL 5.659999847412109)
Descriptors: MW 396.53, ALogP 5.66, HBA 3, HBD 2, PSA 61.8, QED 0.63
Compound (SMILES): CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(C)cc3)c2)CC1
InChIKey: WDZJELNJAGLPJG-UHFFFAOYSA-N
Target: Sphingosine 1-phosphate receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95136
Assay: Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 410.56, ALogP 5.97, HBA 3, HBD 2, PSA 61.8, QED 0.59
Compound (SMILES): CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3cccc(C)c3)c2)CC1
InChIKey: NUXJWDXFRKASNI-UHFFFAOYSA-N
Target: Sphingosine 1-phosphate receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95136
Assay: Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
Measurement: IC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 410.56, ALogP 5.97, HBA 3, HBD 2, PSA 61.8, QED 0.59
Compound (SMILES): CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3C)c2)CC1
InChIKey: OGVZIMFZQNNGDT-UHFFFAOYSA-N
Target: Sphingosine 1-phosphate receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95136
Assay: Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 410.56, ALogP 5.97, HBA 3, HBD 2, PSA 61.8, QED 0.59
Compound (SMILES): CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3)c2C)CC1
InChIKey: QQQQTJUTYTVAOX-UHFFFAOYSA-N
Target: Sphingosine 1-phosphate receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95136
Assay: Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
Measurement: IC50 = 21000 nM (pChEMBL 4.679999828338623)
Descriptors: MW 410.56, ALogP 5.97, HBA 3, HBD 2, PSA 61.8, QED 0.59
Compound (SMILES): CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3)ccc2C)CC1
InChIKey: ZYCQCKHBOGETFE-UHFFFAOYSA-N
Target: Sphingosine 1-phosphate receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95136
Assay: Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 410.56, ALogP 5.97, HBA 3, HBD 2, PSA 61.8, QED 0.59
Compound (SMILES): N[C@H](CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIKey: PKBPYQXUOYGDQY-ZGIBFIJWSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 4.7 nM (pChEMBL 8.329999923706055)
Descriptors: MW 432.57, ALogP 6.19, HBA 2, HBD 1, PSA 46.33, QED 0.38
Compound (SMILES): CC(C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIKey: OCYQLUVTMWIEFI-JIMJEQGWSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1.1 nM (pChEMBL 8.960000038146973)
Descriptors: MW 398.55, ALogP 5.47, HBA 2, HBD 1, PSA 46.33, QED 0.57
Compound (SMILES): CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIKey: GKERYGVFGYWXCK-NRVHTZAHSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 0.68 nM (pChEMBL 9.170000076293945)
Descriptors: MW 414.55, ALogP 4.85, HBA 3, HBD 1, PSA 55.56, QED 0.57
Compound (SMILES): NC1(CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccc(-c3ccccc3)cc2)CCCC1
InChIKey: VUASRBBKSZIXHO-IZZNHLLZSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 0.57 nM (pChEMBL 9.239999771118164)
Descriptors: MW 410.56, ALogP 5.76, HBA 2, HBD 1, PSA 46.33, QED 0.56
Compound (SMILES): CC(C)(N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIKey: NHTUJPQMSGBDFZ-BJKOFHAPSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1.4 nM (pChEMBL 8.850000381469727)
Descriptors: MW 384.52, ALogP 5.23, HBA 2, HBD 1, PSA 46.33, QED 0.63
Compound (SMILES): CC(C)(C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIKey: JKHNMCUZCPAJCU-JIMJEQGWSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 412.58, ALogP 5.86, HBA 2, HBD 1, PSA 46.33, QED 0.55
Compound (SMILES): O=C([C@@H]1C[C@H]1c1ccccc1)N(CC1CCCNC1)c1ccc(-c2ccccc2)cc1
InChIKey: YADANUCSRVPRIW-UZUUZLHTSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 10 nM (pChEMBL 8)
Descriptors: MW 410.56, ALogP 5.49, HBA 2, HBD 1, PSA 32.34, QED 0.58
Compound (SMILES): CC(C)C[C@H](N)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIKey: MELKFMWFAZIFIP-FPNNDXFKSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 426.6, ALogP 6.25, HBA 2, HBD 1, PSA 46.33, QED 0.44
Compound (SMILES): CCC(CC)C(N)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIKey: QSCBDGAFPXBOJD-POZJPKTBSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 440.63, ALogP 6.64, HBA 2, HBD 1, PSA 46.33, QED 0.38
Compound (SMILES): CC(C)CCNCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIKey: UJGMRVAYOSTABY-WUFINQPMSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 5.1 nM (pChEMBL 8.289999961853027)
Descriptors: MW 426.6, ALogP 6.13, HBA 2, HBD 1, PSA 32.34, QED 0.4
Compound (SMILES): CCC(C)CNCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIKey: LOAALDUKVGAKKL-LPRJAOSGSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 4.7 nM (pChEMBL 8.329999923706055)
Descriptors: MW 426.6, ALogP 6.13, HBA 2, HBD 1, PSA 32.34, QED 0.4
Compound (SMILES): O=C([C@@H]1C[C@H]1c1ccccc1)N(CCNCC1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIKey: UWJGDAAFZFNDOB-XZWHSSHBSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 6.6 nM (pChEMBL 8.180000305175781)
Descriptors: MW 452.64, ALogP 6.66, HBA 2, HBD 1, PSA 32.34, QED 0.37
Compound (SMILES): O=C([C@@H]1C[C@H]1c1ccccc1)N(CCNCC1CCCC1)c1ccc(-c2ccccc2)cc1
InChIKey: SSIKSGDZIKCFQA-URLMMPGGSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 438.62, ALogP 6.27, HBA 2, HBD 1, PSA 32.34, QED 0.4
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1
InChIKey: VCPZUPOUNAYXQJ-NEEDMVDMSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 4300 nM (pChEMBL 5.369999885559082)
Descriptors: MW 447.02, ALogP 6.52, HBA 2, HBD 1, PSA 46.33, QED 0.43
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1
InChIKey: VCGRMYZTSKGNNX-NEEDMVDMSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 2200 nM (pChEMBL 5.659999847412109)
Descriptors: MW 447.02, ALogP 6.52, HBA 2, HBD 1, PSA 46.33, QED 0.43
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)c1ccc(-c2ccccc2)cc1
InChIKey: UKSZTFIBXLZLCO-QEHFTRCTSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 447.02, ALogP 6.52, HBA 2, HBD 1, PSA 46.33, QED 0.43
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1)c1ccc(-c2ccccc2)cc1
InChIKey: JGNZNLKZPHNXEW-JQAQQEILSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 442.6, ALogP 5.87, HBA 3, HBD 1, PSA 55.56, QED 0.45
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)c1ccc(-c2ccccc2)cc1
InChIKey: RZBUUFHWPUCQPX-JQAQQEILSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 442.6, ALogP 5.87, HBA 3, HBD 1, PSA 55.56, QED 0.45
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIKey: QICWTWGSOUYOLH-NEEDMVDMSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 430.57, ALogP 6, HBA 2, HBD 1, PSA 46.33, QED 0.48
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc(-c2ccccc2)cc1
InChIKey: OCFPTBVYTDQMEX-NEEDMVDMSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 560 nM (pChEMBL 6.25)
Descriptors: MW 430.57, ALogP 6, HBA 2, HBD 1, PSA 46.33, QED 0.48
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1F)c1ccc(-c2ccccc2)cc1
InChIKey: SCZPRFHLJRXDMI-QEHFTRCTSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 650 nM (pChEMBL 6.190000057220459)
Descriptors: MW 430.57, ALogP 6, HBA 2, HBD 1, PSA 46.33, QED 0.48
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cccc(C)c1)c1ccc(-c2ccccc2)cc1
InChIKey: DPHOSZXWSBLJKO-SKOFVLAMSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 426.6, ALogP 6.17, HBA 2, HBD 1, PSA 46.33, QED 0.47
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(C#N)cc1)c1ccc(-c2ccccc2)cc1
InChIKey: GYKZTPPDIWHYHM-JQAQQEILSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 437.59, ALogP 5.74, HBA 3, HBD 1, PSA 70.12, QED 0.49
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(-c2ccccc2)cc1
InChIKey: WROKGADBKCXVSD-JQAQQEILSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 437.59, ALogP 5.74, HBA 3, HBD 1, PSA 70.12, QED 0.49
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIKey: FDPGDXGPRMRMPH-MPKDPQEWSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 418.63, ALogP 6.28, HBA 2, HBD 1, PSA 46.33, QED 0.55
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(-c2ccccc2)cc1
InChIKey: RBVMRWJVLXLXKK-YUXJLSHCSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 770 nM (pChEMBL 6.110000133514404)
Descriptors: MW 448.56, ALogP 6.14, HBA 2, HBD 1, PSA 46.33, QED 0.45
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cc(F)cc(F)c1)c1ccc(-c2ccccc2)cc1
InChIKey: BZNWOCZTGXLFFB-NNSXXJBVSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 960 nM (pChEMBL 6.019999980926514)
Descriptors: MW 448.56, ALogP 6.14, HBA 2, HBD 1, PSA 46.33, QED 0.45
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2ccccc2)cc1
InChIKey: UGJSBSCWMZHYKL-SRQWTHTNSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 720 nM (pChEMBL 6.139999866485596)
Descriptors: MW 448.56, ALogP 6.14, HBA 2, HBD 1, PSA 46.33, QED 0.45
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1
InChIKey: OLVOAWBGCPIZTR-XKDDLLIGSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 448.56, ALogP 6.14, HBA 2, HBD 1, PSA 46.33, QED 0.45
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2ccccc2)cc1
InChIKey: PBKSKTAPRZKUPV-BXAZGIKQSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 448.56, ALogP 6.14, HBA 2, HBD 1, PSA 46.33, QED 0.45
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccn1)c1ccc(-c2ccccc2)cc1
InChIKey: QJVJBCPIYYANNJ-ZPOKTZCFSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 413.57, ALogP 5.26, HBA 3, HBD 1, PSA 59.22, QED 0.55
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccc(-c2ccccc2)cc1
InChIKey: KAXCTWHYPLCXCZ-HEEDUKKLSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 413.57, ALogP 5.26, HBA 3, HBD 1, PSA 59.22, QED 0.55
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccc(-c2ccccc2)cc1
InChIKey: QZCJQPJDEMNGCY-HEEDUKKLSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 413.57, ALogP 5.26, HBA 3, HBD 1, PSA 59.22, QED 0.55
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ncccn1)c1ccc(-c2ccccc2)cc1
InChIKey: JVMVFEBSVMTHQQ-LWZKNFMGSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 414.55, ALogP 4.65, HBA 4, HBD 1, PSA 72.11, QED 0.58
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cncnc1)c1ccc(-c2ccccc2)cc1
InChIKey: DBHOJBZLKPYDKH-URPHZZJISA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 19000 nM (pChEMBL 4.71999979019165)
Descriptors: MW 414.55, ALogP 4.65, HBA 4, HBD 1, PSA 72.11, QED 0.58
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1nccs1)c1ccc(-c2ccccc2)cc1
InChIKey: FLSLDCUYEQNDTF-XCYUPCBOSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 419.59, ALogP 5.32, HBA 4, HBD 1, PSA 59.22, QED 0.54
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cccs1)c1ccc(-c2ccccc2)cc1
InChIKey: SAIJGZSXTDNSOD-LWZKNFMGSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 418.61, ALogP 5.93, HBA 3, HBD 1, PSA 46.33, QED 0.49
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccc(-c2ccccc2)cc1
InChIKey: BDUNJXZLFYAAGX-URPHZZJISA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 450 nM (pChEMBL 6.349999904632568)
Descriptors: MW 418.61, ALogP 5.93, HBA 3, HBD 1, PSA 46.33, QED 0.49
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccoc1)c1ccc(-c2ccccc2)cc1
InChIKey: GJYBIWZCPIYNIU-URPHZZJISA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 580 nM (pChEMBL 6.239999771118164)
Descriptors: MW 402.54, ALogP 5.46, HBA 3, HBD 1, PSA 59.47, QED 0.54
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1nc(C)cs1)c1ccc(-c2ccccc2)cc1
InChIKey: LFNPOAKLZICXLP-QKBJRNKPSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 730 nM (pChEMBL 6.139999866485596)
Descriptors: MW 433.62, ALogP 5.63, HBA 4, HBD 1, PSA 59.22, QED 0.5
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ncc(C)s1)c1ccc(-c2ccccc2)cc1
InChIKey: FGQRRMXBKHZLLS-QKBJRNKPSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 433.62, ALogP 5.63, HBA 4, HBD 1, PSA 59.22, QED 0.5
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1nc(C)c(C)s1)c1ccc(-c2ccccc2)cc1
InChIKey: YANXVNAYBBIMNF-GXIQQZJTSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 3600 nM (pChEMBL 5.440000057220459)
Descriptors: MW 447.65, ALogP 5.94, HBA 4, HBD 1, PSA 59.22, QED 0.46
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1csc(C)n1)c1ccc(-c2ccccc2)cc1
InChIKey: PRUPIGZKXUIWHW-QKBJRNKPSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 433.62, ALogP 5.63, HBA 4, HBD 1, PSA 59.22, QED 0.5
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(-c2ccccc2)c1
InChIKey: DKPUWBKCQBMPNH-DOEKTCAHSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 23000 nM (pChEMBL 4.639999866485596)
Descriptors: MW 412.58, ALogP 5.86, HBA 2, HBD 1, PSA 46.33, QED 0.5
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1-c1ccccc1
InChIKey: RBIKIJOSSCAUHP-AYRHNUGRSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 6200 nM (pChEMBL 5.210000038146973)
Descriptors: MW 412.58, ALogP 5.86, HBA 2, HBD 1, PSA 46.33, QED 0.5
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2cccnc2)cc1
InChIKey: INAIWEFOXIQSBT-AYRHNUGRSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 413.57, ALogP 5.26, HBA 3, HBD 1, PSA 59.22, QED 0.55
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: HHTZBSVBBYTCRF-AYRHNUGRSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 13000 nM (pChEMBL 4.889999866485596)
Descriptors: MW 413.57, ALogP 5.26, HBA 3, HBD 1, PSA 59.22, QED 0.55
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccsc2)cc1
InChIKey: XURKSAYXXNBLBK-ZKMPZPQNSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 418.61, ALogP 5.93, HBA 3, HBD 1, PSA 46.33, QED 0.49
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2cccs2)cc1
InChIKey: JPCZDDOCROOYQI-OEMFJLHTSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 418.61, ALogP 5.93, HBA 3, HBD 1, PSA 46.33, QED 0.49
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccoc2)cc1
InChIKey: JMVBTBCTKLACNO-ZKMPZPQNSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 402.54, ALogP 5.46, HBA 3, HBD 1, PSA 59.47, QED 0.54
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C2=CCCC2)cc1
InChIKey: UEPIHXYKIAPRGL-AYRHNUGRSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 402.58, ALogP 5.76, HBA 2, HBD 1, PSA 46.33, QED 0.61
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C2=CCCCCC2)cc1
InChIKey: YBTHMZINQBKCJS-RZDMPUFOSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 2100 nM (pChEMBL 5.679999828338623)
Descriptors: MW 430.64, ALogP 6.54, HBA 2, HBD 1, PSA 46.33, QED 0.52
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C2=CCCCC2)cc1
InChIKey: CXSKIHLYWQIEJV-DOEKTCAHSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 416.61, ALogP 6.15, HBA 2, HBD 1, PSA 46.33, QED 0.56
Compound (SMILES): Cc1ccc(-c2ccc(N(C[C@@H](N)CC(C)C)C(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)cc1
InChIKey: LKCJTJRKSCHVCC-RZDMPUFOSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 426.6, ALogP 6.17, HBA 2, HBD 1, PSA 46.33, QED 0.47
Compound (SMILES): Cc1cccc(-c2ccc(N(C[C@@H](N)CC(C)C)C(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)c1
InChIKey: KRXPMEPHMWQAEZ-RZDMPUFOSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 426.6, ALogP 6.17, HBA 2, HBD 1, PSA 46.33, QED 0.47
Compound (SMILES): Cc1ccccc1-c1ccc(N(C[C@@H](N)CC(C)C)C(=O)[C@@H]2C[C@H]2c2ccccc2)cc1
InChIKey: HZGFQGPYFYYPMD-SAAIGDAKSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 3400 nM (pChEMBL 5.46999979019165)
Descriptors: MW 426.6, ALogP 6.17, HBA 2, HBD 1, PSA 46.33, QED 0.47
Compound (SMILES): COc1ccc(-c2ccc(N(C[C@@H](N)CC(C)C)C(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)cc1
InChIKey: NTNKDUADGQBZEO-SAAIGDAKSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 330 nM (pChEMBL 6.480000019073486)
Descriptors: MW 442.6, ALogP 5.87, HBA 3, HBD 1, PSA 55.56, QED 0.45
Compound (SMILES): COc1cccc(-c2ccc(N(C[C@@H](N)CC(C)C)C(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)c1
InChIKey: WIFJEHJXXWECFX-SAAIGDAKSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 442.6, ALogP 5.87, HBA 3, HBD 1, PSA 55.56, QED 0.45
Compound (SMILES): COc1ccccc1-c1ccc(N(C[C@@H](N)CC(C)C)C(=O)[C@@H]2C[C@H]2c2ccccc2)cc1
InChIKey: MGVWFJODDNCWLB-MSLLRLGPSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 3200 nM (pChEMBL 5.5)
Descriptors: MW 442.6, ALogP 5.87, HBA 3, HBD 1, PSA 55.56, QED 0.45
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(F)cc2)cc1
InChIKey: ZOLSWHHFQZFILV-DOEKTCAHSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 900 nM (pChEMBL 6.050000190734863)
Descriptors: MW 430.57, ALogP 6, HBA 2, HBD 1, PSA 46.33, QED 0.48
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2cccc(F)c2)cc1
InChIKey: DHKISGNPJIVJHZ-DOEKTCAHSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 2100 nM (pChEMBL 5.679999828338623)
Descriptors: MW 430.57, ALogP 6, HBA 2, HBD 1, PSA 46.33, QED 0.48
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2F)cc1
InChIKey: JZFZYNAZVBMNKR-UCGXPXSYSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 430.57, ALogP 6, HBA 2, HBD 1, PSA 46.33, QED 0.48
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(C#N)cc2)cc1
InChIKey: OMMUYXGWBBRTTA-RZDMPUFOSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 670 nM (pChEMBL 6.170000076293945)
Descriptors: MW 437.59, ALogP 5.74, HBA 3, HBD 1, PSA 70.12, QED 0.49
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1
InChIKey: TZUKDINHFMZNFC-RZDMPUFOSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 4500 nM (pChEMBL 5.349999904632568)
Descriptors: MW 437.59, ALogP 5.74, HBA 3, HBD 1, PSA 70.12, QED 0.49
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIKey: XFWXZLSXWLHJNT-DOEKTCAHSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 640 nM (pChEMBL 6.190000057220459)
Descriptors: MW 447.02, ALogP 6.52, HBA 2, HBD 1, PSA 46.33, QED 0.43
Compound (SMILES): CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2Cl)cc1
InChIKey: MGOUHYRYEKZBQF-UCGXPXSYSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 3800 nM (pChEMBL 5.420000076293945)
Descriptors: MW 447.02, ALogP 6.52, HBA 2, HBD 1, PSA 46.33, QED 0.43
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIKey: ZLMBOBBDZNNAHD-MPKDPQEWSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 230 nM (pChEMBL 6.639999866485596)
Descriptors: MW 412.58, ALogP 5.86, HBA 2, HBD 1, PSA 46.33, QED 0.5
Compound (SMILES): CCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)cc1
InChIKey: XKSFIQLWYMAJSP-AGMJPXHESA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 440.63, ALogP 6.43, HBA 2, HBD 1, PSA 46.33, QED 0.42
Compound (SMILES): CCCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)cc1
InChIKey: FXCLJRACDSLLKK-NQIRKQEASA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 61 nM (pChEMBL 7.210000038146973)
Descriptors: MW 454.66, ALogP 6.82, HBA 2, HBD 1, PSA 46.33, QED 0.37
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1
InChIKey: OOJDRZMMPHAWLR-NQIRKQEASA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 750 nM (pChEMBL 6.119999885559082)
Descriptors: MW 468.69, ALogP 7.16, HBA 2, HBD 1, PSA 46.33, QED 0.38
Compound (SMILES): CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIKey: SZILGAOZYOOAQU-NEEDMVDMSA-N
Target: G protein-coupled receptor 88 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZN0
Assay: Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
Measurement: EC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 480.57, ALogP 6.88, HBA 2, HBD 1, PSA 46.33, QED 0.38