lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1CC(C)C
InChIKey: XQBFAKVXFOKOAQ-VXLYETTFSA-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 = 100000 nM (pChEMBL 4)
Descriptors: MW 298.39, ALogP 2.92, HBA 4, HBD 1, PSA 59.28, QED 0.68
Compound (SMILES): C/C(=N/NC(=O)c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1
InChIKey: WULPGKIJGNMBHD-YBEGLDIGSA-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 = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 299.29, ALogP 2.45, HBA 5, HBD 2, PSA 104.83, QED 0.51
Compound (SMILES): O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Br)o1
InChIKey: RRFFYTHKGKKIJK-GIDUJCDVSA-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 = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 337.13, ALogP 2.53, HBA 5, HBD 1, PSA 73.06, QED 0.69
Compound (SMILES): COc1ccc(/C=N/N(C(C)=O)c2nc(-c3ccc(C)cc3)cs2)cc1
InChIKey: LBDHACIZWWJSII-CIAFOILYSA-N
Target: Cytochrome P450 2C9 (SINGLE PROTEIN), Homo sapiens
UniProt: P11712
Assay: PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active
Measurement: AC50 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 365.46, ALogP 4.51, HBA 5, HBD 0, PSA 54.79, QED 0.49
Compound (SMILES): O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1
InChIKey: FALGCSABVTVDDN-HYARGMPZSA-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 = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 391.38, ALogP 2.69, HBA 6, HBD 3, PSA 125.06, QED 0.34
Compound (SMILES): CC(=N/O)/C(C)=N\NC(=O)c1ccccn1
InChIKey: VNRYUSQMRVJBRN-FFNMSDODSA-N
Target: Ras-related protein Rab-9A (SINGLE PROTEIN), Homo sapiens
UniProt: P51151
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 3548.1 nM (pChEMBL 5.449999809265137)
Descriptors: MW 220.23, ALogP 1.04, HBA 5, HBD 2, PSA 86.94, QED 0.45
Compound (SMILES): CCN1C(=O)/C(=C/c2cccs2)S/C1=N\S(=O)(=O)c1ccc(C)cc1
InChIKey: HYCFNKMHCQYCBC-NPAMKKHASA-N
Target: Survival motor neuron protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q16637
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 
Measurement: Potency = 5623.4 nM (pChEMBL 5.25)
Descriptors: MW 392.53, ALogP 3.74, HBA 5, HBD 0, PSA 66.81, QED 0.74
Compound (SMILES): CN(C)c1ccc(/C=N/NC(=S)NCc2ccccc2)cc1
InChIKey: INQPNHFKCIHJTC-CPNJWEJPSA-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 = 6309.6 nM (pChEMBL 5.199999809265137)
Descriptors: MW 312.44, ALogP 2.75, HBA 3, HBD 2, PSA 39.66, QED 0.51
Compound (SMILES): O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)c1
InChIKey: GDLNSRIVSXSFOV-NVNXTCNLSA-N
Target: Fructose-bisphosphate aldolase (SINGLE PROTEIN), Giardia intestinalis
UniProt: A8B2U2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]
Measurement: Potency = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 349.32, ALogP 1.64, HBA 7, HBD 1, PSA 120.13, QED 0.5
Compound (SMILES): Cc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(C)c2O)[nH]n1
InChIKey: AYMCYGLDHHRKGY-MKMNVTDBSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 5011.9 nM (pChEMBL 5.300000190734863)
Descriptors: MW 303.28, ALogP 1.4, HBA 6, HBD 3, PSA 133.51, QED 0.45
Compound (SMILES): Nc1nonc1-n1nnc(C(=O)N/N=C/C2CC=CCC2)c1CSc1ccccc1
InChIKey: OKENHGZCCKZUFV-SRZZPIQSSA-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 424.49, ALogP 2.6, HBA 10, HBD 2, PSA 137.11, QED 0.26
Compound (SMILES): CCN(CC)c1ccc(/C=N/NC(=O)Cc2cccs2)cc1
InChIKey: BAACYPRKJXEXEE-QGOAFFKASA-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 = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 315.44, ALogP 3.29, HBA 4, HBD 1, PSA 44.7, QED 0.63
Compound (SMILES): COc1cccc(/C=N/NC(=O)CNC(=O)COc2cccc(C)c2)c1O
InChIKey: WGTWBTZUMHHRGU-UFFVCSGVSA-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 = 2818.4 nM (pChEMBL 5.550000190734863)
Descriptors: MW 371.39, ALogP 1.35, HBA 6, HBD 3, PSA 109.25, QED 0.48
Compound (SMILES): CC(=O)N/N=C(\C)CCc1ccccc1
InChIKey: LZLUEPLKFJZDSS-JLHYYAGUSA-N
Target: Beta-lactamase (SINGLE PROTEIN), Escherichia coli K-12
UniProt: P00811
Assay: PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]
Measurement: Potency = 100000 nM (pChEMBL 4)
Descriptors: MW 204.27, ALogP 2.13, HBA 2, HBD 1, PSA 41.46, QED 0.59
Compound (SMILES): Oc1[nH]c2ccccc2c1/C=N/c1ccc2c(c1)OCCO2
InChIKey: VBXPWAJJPXKHBI-VCHYOVAHSA-N
Target: NPC intracellular cholesterol transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15118
Assay: PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 5011.9 nM (pChEMBL 5.300000190734863)
Descriptors: MW 294.31, ALogP 3.4, HBA 4, HBD 2, PSA 66.84, QED 0.71
Compound (SMILES): Sc1nnc(-c2ccncc2)n1/N=C/C=C/c1ccco1
InChIKey: MUSJFLNMBQBELM-JLALNBPMSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 1412.5 nM (pChEMBL 5.849999904632568)
Descriptors: MW 297.34, ALogP 2.77, HBA 7, HBD 1, PSA 69.1, QED 0.59
Compound (SMILES): CCO/N=C1/CSC2c3ccccc3C(=O)N2Cc2sccc21
InChIKey: TWFWBDZOSUZZIY-JXAWBTAJSA-N
Target: Aldehyde dehydrogenase 1A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00352
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 344.46, ALogP 3.89, HBA 5, HBD 0, PSA 41.9, QED 0.78
Compound (SMILES): O=C(N/N=C/c1ccccn1)c1cc(C2CC2)[nH]n1
InChIKey: XDRKYEOHGVUZQQ-OVCLIPMQSA-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 255.28, ALogP 1.45, HBA 4, HBD 2, PSA 83.03, QED 0.64
Compound (SMILES): COc1ccc(/C=N/NS(=O)(=O)c2ccc(F)cc2)cc1COc1cc(F)ccc1[N+](=O)[O-]
InChIKey: WBULCWSSFSCNJT-WYMPLXKRSA-N
Target: Survival motor neuron protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q16637
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 
Measurement: Potency = 7079.5 nM (pChEMBL 5.150000095367432)
Descriptors: MW 477.45, ALogP 3.77, HBA 7, HBD 1, PSA 120.13, QED 0.28
Compound (SMILES): C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(-n2ccnc2)cc1
InChIKey: XHARPKGCLZIHDU-WPWMEQJKSA-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 = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 493.98, ALogP 4.48, HBA 6, HBD 2, PSA 105.45, QED 0.29
Compound (SMILES): CCOc1ccc(-c2c(C(=O)N/N=C/c3ccncc3)nnn2-c2nonc2N)cc1
InChIKey: NICSGFSPTFHJMB-SSDVNMTOSA-N
Target: Beta-lactamase (SINGLE PROTEIN), Escherichia coli K-12
UniProt: P00811
Assay: PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]
Measurement: Potency = 112201.8 nM (pChEMBL 3.950000047683716)
Descriptors: MW 419.41, ALogP 1.46, HBA 11, HBD 2, PSA 159.23, QED 0.33
Compound (SMILES): O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1
InChIKey: CUJCCQNWSXZLIF-AFUMVMLFSA-N
Target: Survival motor neuron protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q16637
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 
Measurement: Potency = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 460, ALogP 4.11, HBA 5, HBD 1, PSA 71, QED 0.45
Compound (SMILES): CCOC(=O)c1c(/N=C/C2C(=O)CC(C)(C)CC2=O)sc2c1CCCC2
InChIKey: SZSLJJHOUFXMOA-SRZZPIQSSA-N
Target: ATP-dependent DNA helicase Q1 (SINGLE PROTEIN), Homo sapiens
UniProt: P46063
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))]
Measurement: Potency = 7943.3 nM (pChEMBL 5.099999904632568)
Descriptors: MW 375.49, ALogP 4.08, HBA 6, HBD 0, PSA 72.8, QED 0.45
Compound (SMILES): C/C(=N/NC(=O)C1CC1(c1ccccc1)c1ccccc1)c1ccco1
InChIKey: XUYYGTIWLSKZCH-KQWNVCNZSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 344.41, ALogP 4.13, HBA 3, HBD 1, PSA 54.6, QED 0.56
Compound (SMILES): O=C(N/N=C/c1cccs1)c1cccs1
InChIKey: BFQKAYQRWCAVAT-YRNVUSSQSA-N
Target: Survival motor neuron protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q16637
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 
Measurement: Potency = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 236.32, ALogP 2.57, HBA 4, HBD 1, PSA 41.46, QED 0.65
Compound (SMILES): CCN1C(=O)CS/C1=N/C1C2CC3CC(C2)CC1C3
InChIKey: HBLREDFDMGIKQM-FOCLMDBBSA-N
Target: Nonstructural protein 1 (SINGLE PROTEIN), Influenza A virus
UniProt: Q194T2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) 
Measurement: Potency = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 278.42, ALogP 2.76, HBA 3, HBD 0, PSA 32.67, QED 0.78
Compound (SMILES): Sc1nnc(-c2cccc(Cl)c2)n1/N=C/c1ccc(-c2ccccc2Br)o1
InChIKey: JAFDXOAGWHBGFJ-SSDVNMTOSA-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 = 27960 nM (pChEMBL 4.550000190734863)
Descriptors: MW 459.76, ALogP 5.79, HBA 6, HBD 1, PSA 56.21, QED 0.31
Compound (SMILES): Nc1ccc(-c2cnc(N)c(C(=O)c3cccnc3)n2)cn1.O=C(O)C(F)(F)F
InChIKey: CDSMQTABKMMXFV-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q00535
Assay: PUBCHEM_BIOASSAY: Development of CDK5 inhibitors Measured in Biochemical System Using Plate Reader - 2083-01_Inhibitor_Dose_CherryPick_Activity_Set2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488916]
Measurement: AC50 = 36685 nM (pChEMBL 4.440000057220459)
Descriptors: MW 292.3, ALogP 1.33, HBA 7, HBD 2, PSA 120.67, QED 0.7
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccccc5)n4)CCC3)cc2)cn1
InChIKey: MSWZIPDIUVHJGG-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimycin stimulation measured after 30 mins
Measurement: IC50 = 470 nM (pChEMBL 6.329999923706055)
Descriptors: MW 369.43, ALogP 4.25, HBA 6, HBD 1, PSA 90.72, QED 0.58
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5)n4)CCC3)cc2)cn1
InChIKey: OZAIDXQEAWYELV-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimycin stimulation measured after 30 mins
Measurement: IC50 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 370.42, ALogP 3.64, HBA 7, HBD 1, PSA 103.61, QED 0.58
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccnnc5)n4)CCC3)cc2)cn1
InChIKey: NQVVSGXTBPMVCG-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimycin stimulation measured after 30 mins
Measurement: IC50 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 371.4, ALogP 3.04, HBA 8, HBD 1, PSA 116.5, QED 0.58
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnccn5)n4)CCC3)cc2)cn1
InChIKey: PNCZUZWNZUGFNI-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 5.7 nM (pChEMBL 8.239999771118164)
Descriptors: MW 371.4, ALogP 3.04, HBA 8, HBD 1, PSA 116.5, QED 0.58
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cncnc5)n4)CCC3)cc2)cn1
InChIKey: XXFRSNHWFUMTMD-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 371.4, ALogP 3.04, HBA 8, HBD 1, PSA 116.5, QED 0.58
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cccnn5)n4)CCC3)cc2)cn1
InChIKey: IPYLUVAGBZPPAI-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 8.5 nM (pChEMBL 8.069999694824219)
Descriptors: MW 371.4, ALogP 3.04, HBA 8, HBD 1, PSA 116.5, QED 0.58
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccncn5)n4)CCC3)cc2)cn1
InChIKey: JCYPBNCMKWVCRB-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 371.4, ALogP 3.04, HBA 8, HBD 1, PSA 116.5, QED 0.58
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc[nH]c5=O)n4)CCC3)cc2)cn1
InChIKey: DVNDYAKTKBBPCE-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 2.9 nM (pChEMBL 8.539999961853027)
Descriptors: MW 386.42, ALogP 2.93, HBA 7, HBD 2, PSA 123.58, QED 0.55
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5c[nH]cn5)n4)CCC3)cc2)cn1
InChIKey: ZSUXOIDPMKNQJI-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 359.39, ALogP 2.97, HBA 7, HBD 2, PSA 119.4, QED 0.57
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5c[nH]nn5)n4)CCC3)cc2)cn1
InChIKey: BTQYIFBOCHWFEJ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 4.7 nM (pChEMBL 8.329999923706055)
Descriptors: MW 360.38, ALogP 2.36, HBA 8, HBD 2, PSA 132.29, QED 0.57
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5nc[nH]n5)n4)CCC3)cc2)cn1
InChIKey: NVNGRFFXFVCOFR-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 360.38, ALogP 2.36, HBA 8, HBD 2, PSA 132.29, QED 0.57
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cscn5)n4)CCC3)cc2)cn1
InChIKey: MWMXDUUKHIUUGR-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 376.45, ALogP 3.7, HBA 8, HBD 1, PSA 103.61, QED 0.58
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cocn5)n4)CCC3)cc2)cn1
InChIKey: VJGZLXUWIXLUOZ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 8.1 nM (pChEMBL 8.09000015258789)
Descriptors: MW 360.38, ALogP 3.23, HBA 8, HBD 1, PSA 116.75, QED 0.59
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cc[nH]n5)n4)CCC3)cc2)cn1
InChIKey: UENRBCFYEMUGJH-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 359.39, ALogP 2.97, HBA 7, HBD 2, PSA 119.4, QED 0.57
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]c5)n4)CCC3)cc2)cn1
InChIKey: VJECPSDOOMWUOC-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 2.3 nM (pChEMBL 8.640000343322754)
Descriptors: MW 359.39, ALogP 2.97, HBA 7, HBD 2, PSA 119.4, QED 0.57
Compound (SMILES): Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1
InChIKey: LIMBVZKBIGDVRK-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 373.42, ALogP 2.98, HBA 8, HBD 1, PSA 108.54, QED 0.59
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)O)c5)n4)CCC3)cc2)cn1
InChIKey: JTEGTUVFAVQLFE-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 417.43, ALogP 2.53, HBA 9, HBD 2, PSA 145.84, QED 0.48
Compound (SMILES): COCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1
InChIKey: RDGLQVJTYJQSPJ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 417.47, ALogP 3.09, HBA 9, HBD 1, PSA 117.77, QED 0.49
Compound (SMILES): C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C6CCNCC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
InChIKey: ROFOSUQIJMEOGA-KTQFYHDFSA-N
Target: 5'-nucleotidase (SINGLE PROTEIN), Homo sapiens
UniProt: P21589
Assay: Inhibition of N-terminal His-tagged human recombinant CD73 (27 to 527 residues) expressed in CHO cells incubated for 1 hr by malachite green based spectrophotometric assay
Measurement: IC50 = 1390 nM (pChEMBL 5.860000133514404)
Descriptors: MW 567.86, ALogP 7.64, HBA 4, HBD 2, PSA 75.63, QED 0.27
Compound (SMILES): CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3ccccc3)ccc2=O)c1
InChIKey: MMLZMOJJDMGVME-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 435.53, ALogP 3.93, HBA 7, HBD 2, PSA 88.49, QED 0.47
Compound (SMILES): Cc1ccccc1Nc1ccc(=O)n(Cc2cccc(NC(=O)OCCCCN(C)C)c2)n1
InChIKey: XETMKXVHOVFJKY-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 449.56, ALogP 4.23, HBA 7, HBD 2, PSA 88.49, QED 0.45
Compound (SMILES): Cc1cccc(Nc2ccc(=O)n(Cc3cccc(NC(=O)OCCCCN(C)C)c3)n2)c1
InChIKey: CSBCAGGOUDLDBG-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 449.56, ALogP 4.23, HBA 7, HBD 2, PSA 88.49, QED 0.45
Compound (SMILES): CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3cccc(C(F)(F)F)c3)ccc2=O)c1
InChIKey: RXMNFINHJRVEIC-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 503.53, ALogP 4.94, HBA 7, HBD 2, PSA 88.49, QED 0.38
Compound (SMILES): CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3ccc(C(F)(F)F)cc3)ccc2=O)c1
InChIKey: PEQBNXUUGMARQS-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 503.53, ALogP 4.94, HBA 7, HBD 2, PSA 88.49, QED 0.38
Compound (SMILES): CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3ccccc3F)ccc2=O)c1
InChIKey: SLOAJOXZUNLVIU-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 453.52, ALogP 4.06, HBA 7, HBD 2, PSA 88.49, QED 0.45
Compound (SMILES): CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3cccc(F)c3)ccc2=O)c1
InChIKey: OFHOOJMOEHCOBA-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 453.52, ALogP 4.06, HBA 7, HBD 2, PSA 88.49, QED 0.45
Compound (SMILES): CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3ccc(F)cc3)ccc2=O)c1
InChIKey: KYZIGXNJEQPJTA-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 900 nM (pChEMBL 6.050000190734863)
Descriptors: MW 453.52, ALogP 4.06, HBA 7, HBD 2, PSA 88.49, QED 0.45
Compound (SMILES): CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3cccc(Cl)c3)ccc2=O)c1
InChIKey: NNILRJHUGHNOCW-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 469.97, ALogP 4.58, HBA 7, HBD 2, PSA 88.49, QED 0.42
Compound (SMILES): CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3cc(F)cc(F)c3)ccc2=O)c1
InChIKey: WHSCVUUVANKVBK-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 471.51, ALogP 4.2, HBA 7, HBD 2, PSA 88.49, QED 0.43
Compound (SMILES): CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccccc43)ccc2=O)c1
InChIKey: GPKIYGLXHSWKCF-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 459.55, ALogP 4.13, HBA 7, HBD 1, PSA 81.39, QED 0.38
Compound (SMILES): CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1
InChIKey: RZSBZPSKJMAAIS-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 477.54, ALogP 4.26, HBA 7, HBD 1, PSA 81.39, QED 0.36
Compound (SMILES): CN(C)CCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1
InChIKey: XLJBJJAZSWASNW-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 191 nM (pChEMBL 6.71999979019165)
Descriptors: MW 449.49, ALogP 3.48, HBA 7, HBD 1, PSA 81.39, QED 0.47
Compound (SMILES): CN(C)CCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1
InChIKey: RFNJNXSIIMCRRY-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 39.5 nM (pChEMBL 7.400000095367432)
Descriptors: MW 463.51, ALogP 3.87, HBA 7, HBD 1, PSA 81.39, QED 0.4
Compound (SMILES): CN(C)CCCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1
InChIKey: SGDJACUXIHVQTC-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 491.57, ALogP 4.66, HBA 7, HBD 1, PSA 81.39, QED 0.33
Compound (SMILES): CN(C)CCOCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1
InChIKey: YSBQFEUKQBXENA-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 51 nM (pChEMBL 7.289999961853027)
Descriptors: MW 493.54, ALogP 3.5, HBA 8, HBD 1, PSA 90.62, QED 0.34
Compound (SMILES): CCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1
InChIKey: LMYTZOVTGRVWCF-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 406.42, ALogP 3.94, HBA 6, HBD 1, PSA 78.15, QED 0.54
Compound (SMILES): O=C(Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1)OCCCCN1CCOCC1
InChIKey: FIFFKGUJOGLHFQ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 519.58, ALogP 4.04, HBA 8, HBD 1, PSA 90.62, QED 0.34
Compound (SMILES): O=C(Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1)OCCCCn1cccn1
InChIKey: UEWOYJDYKUNDOP-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 500.53, ALogP 4.6, HBA 8, HBD 1, PSA 95.97, QED 0.3
Compound (SMILES): CN1CCN(CCCCOC(=O)Nc2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)CC1
InChIKey: RUWCSNLMVYBEGQ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 532.62, ALogP 3.95, HBA 8, HBD 1, PSA 84.63, QED 0.33
Compound (SMILES): COC(=O)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1
InChIKey: ZLKTWELCXNHEIJ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 492.51, ALogP 4.27, HBA 8, HBD 1, PSA 104.45, QED 0.28
Compound (SMILES): CN1CCN(CCCOC(=O)Nc2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)CC1
InChIKey: DUBMUGYFNOQVHS-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 518.59, ALogP 3.56, HBA 8, HBD 1, PSA 84.63, QED 0.36
Compound (SMILES): CN1CCN(CCCCCOC(=O)Nc2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)CC1
InChIKey: RQBZZEDXQSBJPJ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 546.65, ALogP 4.34, HBA 8, HBD 1, PSA 84.63, QED 0.3
Compound (SMILES): O=c1ccc(-n2ccc3ccc(F)cc32)nn1Cc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1
InChIKey: VAPYMSUWZDXTGJ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 2.3 nM (pChEMBL 8.640000343322754)
Descriptors: MW 526.57, ALogP 3.54, HBA 9, HBD 0, PSA 87.3, QED 0.31
Compound (SMILES): CN1CCN(CCOc2cnc(-c3cccc(Cn4nc(-n5ccc6ccc(F)cc65)ccc4=O)c3)nc2)CC1
InChIKey: WOMBPSFJZNDVJJ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 1.7 nM (pChEMBL 8.770000457763672)
Descriptors: MW 539.62, ALogP 3.46, HBA 9, HBD 0, PSA 81.31, QED 0.3
Compound (SMILES): CN1CCN(CCCOc2cnc(-c3cccc(Cn4nc(-n5ccc6ccc(F)cc65)ccc4=O)c3)nc2)CC1
InChIKey: MRINBWRXPPYLKC-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 9.8 nM (pChEMBL 8.010000228881836)
Descriptors: MW 553.64, ALogP 3.85, HBA 9, HBD 0, PSA 81.31, QED 0.26
Compound (SMILES): COCCCOc1cnc(-c2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)nc1
InChIKey: UVADAAIZXVOOQK-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 5.2 nM (pChEMBL 8.279999732971191)
Descriptors: MW 485.52, ALogP 4.25, HBA 8, HBD 0, PSA 84.06, QED 0.29
Compound (SMILES): COc1cnc(-c2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)nc1
InChIKey: NBQKTJYWVFVDQQ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 10.7 nM (pChEMBL 7.96999979019165)
Descriptors: MW 427.44, ALogP 3.84, HBA 7, HBD 0, PSA 74.83, QED 0.43
Compound (SMILES): O=c1ccc(-n2ccc3ccc(F)cc32)nn1CCOc1ccnc2cc(OCCCN3CCOCC3)ccc12
InChIKey: AVMUXOWCRXLJPW-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 4.2 nM (pChEMBL 8.380000114440918)
Descriptors: MW 543.6, ALogP 4.05, HBA 9, HBD 0, PSA 83.64, QED 0.25
Compound (SMILES): COCCOc1ccc2c(OCCn3nc(-n4ccc5ccc(F)cc54)ccc3=O)ccnc2c1
InChIKey: OSUULANRTNJMIH-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 4.6 nM (pChEMBL 8.34000015258789)
Descriptors: MW 474.49, ALogP 3.98, HBA 8, HBD 0, PSA 80.4, QED 0.3
Compound (SMILES): Nc1ccc(Cn2nc(Nc3ccccc3)ccc2=O)cc1
InChIKey: AHMKYZPFGOAUFM-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-Met (unknown origin)
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 292.34, ALogP 2.62, HBA 5, HBD 2, PSA 72.94, QED 0.72
Compound (SMILES): Cc1ccccc1Nc1ccc(=O)n(Cc2ccc(NC(=O)OCCCCN(C)C)cc2)n1
InChIKey: UZBHFWKYLXYPHX-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 449.56, ALogP 4.23, HBA 7, HBD 2, PSA 88.49, QED 0.45
Compound (SMILES): Cc1ccccc1Nc1ccc(=O)n(Cc2ccccc2NC(=O)OCCCCN(C)C)n1
InChIKey: WGWCUIUMVODPFP-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 449.56, ALogP 4.23, HBA 7, HBD 2, PSA 88.49, QED 0.45
Compound (SMILES): CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(C(F)(F)F)cc43)ccc2=O)c1
InChIKey: IYVBCENNCHPDSE-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 85 nM (pChEMBL 7.070000171661377)
Descriptors: MW 527.55, ALogP 5.14, HBA 7, HBD 1, PSA 81.39, QED 0.3
Compound (SMILES): COc1ccc2ccn(-c3ccc(=O)n(Cc4cccc(NC(=O)OCCCCN(C)C)c4)n3)c2c1
InChIKey: KUVASXUIJUJUCO-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 583 nM (pChEMBL 6.230000019073486)
Descriptors: MW 489.58, ALogP 4.13, HBA 8, HBD 1, PSA 90.62, QED 0.34
Compound (SMILES): Cc1ccc2ccn(-c3ccc(=O)n(Cc4cccc(NC(=O)OCCCCN(C)C)c4)n3)c2c1
InChIKey: IEHJKOVLBYSKHB-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 151 nM (pChEMBL 6.820000171661377)
Descriptors: MW 473.58, ALogP 4.43, HBA 7, HBD 1, PSA 81.39, QED 0.36
Compound (SMILES): CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4c(F)cccc43)ccc2=O)c1
InChIKey: IMNXMNLYYRDQKP-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 477.54, ALogP 4.26, HBA 7, HBD 1, PSA 81.39, QED 0.36
Compound (SMILES): CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4cc(F)ccc43)ccc2=O)c1
InChIKey: GACAZKOZPQINNF-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 477.54, ALogP 4.26, HBA 7, HBD 1, PSA 81.39, QED 0.36
Compound (SMILES): CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4c(F)cc(F)cc43)ccc2=O)c1
InChIKey: WCCNKOBFSVVEJN-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
Measurement: IC50 = 89 nM (pChEMBL 7.050000190734863)
Descriptors: MW 495.53, ALogP 4.4, HBA 7, HBD 1, PSA 81.39, QED 0.35
Compound (SMILES): C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)cc1
InChIKey: FJHKZEVPGYADEG-NVPAJSRCSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYN8
Assay: Binding affinity to rat histamine H3 receptor
Measurement: Ki = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 327.43, ALogP 2.41, HBA 4, HBD 1, PSA 53.93, QED 0.82
Compound (SMILES): C[C@H](COc1ccc(C2=NNC(=O)C3CC23)cc1)CN1CCC[C@H]1C
InChIKey: ADTARRIQWGUIIA-BULQSVBWSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYN8
Assay: Binding affinity to rat histamine H3 receptor
Measurement: Ki = 9.8 nM (pChEMBL 8.010000228881836)
Descriptors: MW 341.46, ALogP 2.66, HBA 4, HBD 1, PSA 53.93, QED 0.87
Compound (SMILES): C[C@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)cc1
InChIKey: FJHKZEVPGYADEG-IGEOTXOUSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYN8
Assay: Binding affinity to rat histamine H3 receptor
Measurement: Ki = 57 nM (pChEMBL 7.239999771118164)
Descriptors: MW 327.43, ALogP 2.41, HBA 4, HBD 1, PSA 53.93, QED 0.82
Compound (SMILES): O=C1NN=C(c2ccc(OCCCN3CCCCC3)cc2)C2CC12
InChIKey: QBXAXCCPRGKAHT-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYN8
Assay: Binding affinity to rat histamine H3 receptor
Measurement: Ki = 54 nM (pChEMBL 7.269999980926514)
Descriptors: MW 327.43, ALogP 2.41, HBA 4, HBD 1, PSA 53.93, QED 0.82
Compound (SMILES): NCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1
InChIKey: CZVIDDLJRCWVHX-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 402.46, ALogP 2.4, HBA 9, HBD 2, PSA 134.56, QED 0.5
Compound (SMILES): CN(C)CCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1
InChIKey: JHJVGMYHMZFOHQ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 430.52, ALogP 3, HBA 9, HBD 1, PSA 111.78, QED 0.48
Compound (SMILES): CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1
InChIKey: LODLDTBDBLKVSY-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 444.5, ALogP 2.53, HBA 9, HBD 1, PSA 128.85, QED 0.48
Compound (SMILES): CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1
InChIKey: YMEFXAYUHCDQHO-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 3.5 nM (pChEMBL 8.460000038146973)
Descriptors: MW 431.5, ALogP 3.21, HBA 9, HBD 2, PSA 128.77, QED 0.48
Compound (SMILES): Cn1cc(-c2nc(Cc3ccc(-c4cnc(N)nc4)cc3)no2)cn1
InChIKey: KOSJBISHKMJPBO-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 333.36, ALogP 2.1, HBA 8, HBD 1, PSA 108.54, QED 0.61
Compound (SMILES): Cn1cc(-c2nc(C(C)(C)c3ccc(-c4cnc(N)nc4)cc3)no2)cn1
InChIKey: MWMPGGJOCQTTCE-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 6.7 nM (pChEMBL 8.170000076293945)
Descriptors: MW 361.41, ALogP 2.84, HBA 8, HBD 1, PSA 108.54, QED 0.6
Compound (SMILES): Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CC3)no2)cn1
InChIKey: QUMBJVLZNXZUMW-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 359.39, ALogP 2.59, HBA 8, HBD 1, PSA 108.54, QED 0.6
Compound (SMILES): Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CC(C)(C)C3)no2)cn1
InChIKey: OMQPVVGBQSPADM-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 401.47, ALogP 3.62, HBA 8, HBD 1, PSA 108.54, QED 0.56
Compound (SMILES): CC(C)C(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2cnn(C)c2)n1
InChIKey: DESXNAWHZSSUQU-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 6.2 nM (pChEMBL 8.210000038146973)
Descriptors: MW 375.44, ALogP 3.3, HBA 8, HBD 1, PSA 108.54, QED 0.57
Compound (SMILES): CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2cnn(C)c2)n1
InChIKey: XZHYHEBYHZWYRX-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 389.46, ALogP 3.47, HBA 8, HBD 1, PSA 108.54, QED 0.56
Compound (SMILES): CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2cnn(C)c2)n1
InChIKey: XZHYHEBYHZWYRX-OAQYLSRUSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 1.6 nM (pChEMBL 8.800000190734863)
Descriptors: MW 389.46, ALogP 3.47, HBA 8, HBD 1, PSA 108.54, QED 0.56
Compound (SMILES): CC(C)[C@@](C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2cnn(C)c2)n1
InChIKey: XZHYHEBYHZWYRX-NRFANRHFSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 7.7 nM (pChEMBL 8.109999656677246)
Descriptors: MW 389.46, ALogP 3.47, HBA 8, HBD 1, PSA 108.54, QED 0.56
Compound (SMILES): Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1
InChIKey: RPOQYHASIAIZBW-NRFANRHFSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 387.45, ALogP 3.23, HBA 8, HBD 1, PSA 108.54, QED 0.56
Compound (SMILES): Cn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1
InChIKey: RPOQYHASIAIZBW-OAQYLSRUSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 387.45, ALogP 3.23, HBA 8, HBD 1, PSA 108.54, QED 0.56
Compound (SMILES): Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1
InChIKey: DBGVUJWUDNGOBJ-JOCHJYFZSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
Measurement: IC50 = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 401.47, ALogP 3.62, HBA 8, HBD 1, PSA 108.54, QED 0.54