lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CN[C@H]1CCC[C@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)C1.Cl
InChIKey: DZWCPJPFRNJGMB-IODNYQNNSA-N
Target: Nitric oxide synthase, inducible (SINGLE PROTEIN), Homo sapiens
UniProt: P35228
Assay: Inhibition of human iNOS expressed in baculovirus-infected insect sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline preincubated for 15 mins with compound measured after 45 mins by scintillation counting
Measurement: IC50 = 14500 nM (pChEMBL 4.840000152587891)
Descriptors: MW 352.51, ALogP 4.91, HBA 3, HBD 4, PSA 63.7, QED 0.4
Compound (SMILES): CCN[C@H]1CCC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)C1.Cl
InChIKey: MRZYSDFMLQKBFH-LIOBNPLQSA-N
Target: Nitric oxide synthase, inducible (SINGLE PROTEIN), Homo sapiens
UniProt: P35228
Assay: Inhibition of human iNOS expressed in baculovirus-infected insect sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline preincubated for 15 mins with compound measured after 45 mins by scintillation counting
Measurement: IC50 = 19200 nM (pChEMBL 4.71999979019165)
Descriptors: MW 366.53, ALogP 5.3, HBA 3, HBD 4, PSA 63.7, QED 0.37
Compound (SMILES): CCN[C@H]1CCC[C@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)C1.Cl
InChIKey: MRZYSDFMLQKBFH-YYLIZZNMSA-N
Target: Nitric oxide synthase, inducible (SINGLE PROTEIN), Homo sapiens
UniProt: P35228
Assay: Inhibition of human iNOS expressed in baculovirus-infected insect sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline preincubated for 15 mins with compound measured after 45 mins by scintillation counting
Measurement: IC50 = 54200 nM (pChEMBL 4.269999980926514)
Descriptors: MW 366.53, ALogP 5.3, HBA 3, HBD 4, PSA 63.7, QED 0.37
Compound (SMILES): O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccc2)c1
InChIKey: KKFNXXORVOYZEM-KVKMCETFSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 453.6, ALogP 4.4, HBA 4, HBD 2, PSA 77.84, QED 0.37
Compound (SMILES): O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3ccccc3c2)c1
InChIKey: ZHWCOZGICFMGBP-BFGDYUKKSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 503.66, ALogP 5.56, HBA 4, HBD 2, PSA 77.84, QED 0.25
Compound (SMILES): O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccn2)c1
InChIKey: KPLWANAFZOCKMN-JEUBMUGFSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 454.59, ALogP 3.8, HBA 5, HBD 2, PSA 90.73, QED 0.37
Compound (SMILES): O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(N2Cc3ccccc3C2)c1
InChIKey: STWIBIUJSSFCCO-JCTFQTSCSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 494.66, ALogP 4.26, HBA 5, HBD 2, PSA 81.08, QED 0.34
Compound (SMILES): O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3[nH]ccc3c2)c1
InChIKey: NUXMYQHRAUGVMF-RSURJUNSSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 492.64, ALogP 4.88, HBA 4, HBD 3, PSA 93.63, QED 0.25
Compound (SMILES): O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3o2)c1
InChIKey: JZCFDPKIVFTNPA-PNXDNICKSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 494.61, ALogP 4.54, HBA 6, HBD 2, PSA 103.87, QED 0.28
Compound (SMILES): O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3s2)c1
InChIKey: MBXTUZPAKYZNMZ-PNXDNICKSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 510.68, ALogP 5.01, HBA 6, HBD 2, PSA 90.73, QED 0.26
Compound (SMILES): O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2cc3ccccc3o2)c1
InChIKey: HUUGVAOMPGUWBV-BVTGIUCLSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 493.63, ALogP 5.15, HBA 5, HBD 2, PSA 90.98, QED 0.27
Compound (SMILES): O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2cccnc2)c1
InChIKey: JSGJBDBGONKGOZ-UCQVOXAISA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 484.62, ALogP 3.71, HBA 6, HBD 2, PSA 99.96, QED 0.31
Compound (SMILES): O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2ccccn2)c1
InChIKey: YVLSZAQQNSHRAV-RBJONROZSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 484.62, ALogP 3.71, HBA 6, HBD 2, PSA 99.96, QED 0.31
Compound (SMILES): O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2ccncc2)c1
InChIKey: RUIWHFGZUWJVMV-JVRPOKLMSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 484.62, ALogP 3.71, HBA 6, HBD 2, PSA 99.96, QED 0.31
Compound (SMILES): Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1
InChIKey: PJFILWNETZMJRD-RBJONROZSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 508.67, ALogP 5.06, HBA 6, HBD 2, PSA 90.73, QED 0.29
Compound (SMILES): COc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1
InChIKey: DWLBFFMLIQEQIV-ORMBLBCUSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 524.66, ALogP 4.76, HBA 7, HBD 2, PSA 99.96, QED 0.28
Compound (SMILES): Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)c(C)c1
InChIKey: OAAKRDFPYNRCLP-DKARNCPTSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 522.69, ALogP 5.37, HBA 6, HBD 2, PSA 90.73, QED 0.27
Compound (SMILES): Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1C
InChIKey: QBUJKNBDVBZVJH-IEZNSWIASA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 522.69, ALogP 5.37, HBA 6, HBD 2, PSA 90.73, QED 0.27
Compound (SMILES): O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3cc4ccccc4o3)c2)n1
InChIKey: PWCLBJYOGZNYIQ-PCBIHFGQSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 534.66, ALogP 5.5, HBA 7, HBD 2, PSA 103.87, QED 0.2
Compound (SMILES): O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4o3)c2)n1
InChIKey: PNAPUQSCDLKDBJ-BJIJGURPSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 535.65, ALogP 4.89, HBA 8, HBD 2, PSA 116.76, QED 0.22
Compound (SMILES): O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4s3)c2)n1
InChIKey: LHSFFQORRGHKSR-BJIJGURPSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 551.72, ALogP 5.36, HBA 8, HBD 2, PSA 103.62, QED 0.2
Compound (SMILES): O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4s3)c2)n1
InChIKey: COBKGDMIGLRUQR-CNIPWFDFSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 586.16, ALogP 6.01, HBA 8, HBD 2, PSA 103.62, QED 0.17
Compound (SMILES): Cc1ccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc2c1
InChIKey: JCIWYGNAXZWKCG-KSFASEQNSA-N
Target: Prostaglandin E2 receptor EP3 subtype (SINGLE PROTEIN), Mus musculus
UniProt: P30557
Assay: Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 549.67, ALogP 5.2, HBA 8, HBD 2, PSA 116.76, QED 0.2
Compound (SMILES): O=C1/C(=C/c2ccccn2)CSC/C1=C\c1ccccn1
InChIKey: SZUIRPWFHMMLIA-UTLPMFLDSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of recombinant KDR (unknown origin) by FRET-based Z'-LYTE assay
Measurement: IC50 = 6500 nM (pChEMBL 5.190000057220459)
Descriptors: MW 294.38, ALogP 3.26, HBA 4, HBD 0, PSA 42.85, QED 0.8
Compound (SMILES): CCOC(=O)c1cnc2ccc(OC)cc2c1SCCC#N
InChIKey: TZDUQSHGGUOAJU-UHFFFAOYSA-N
Target: Glycylpeptide N-tetradecanoyltransferase (SINGLE PROTEIN), Plasmodium falciparum (isolate 3D7)
UniProt: Q8ILW6
Assay: Inhibition of Plasmodium falciparum NMT preincubated for 10 to 20 mins followed by Hs pp60src (2 to 16 residues) substrate addition measured after 60 mins by CPM-based fluorescence assay
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 316.38, ALogP 3.43, HBA 6, HBD 0, PSA 72.21, QED 0.46
Compound (SMILES): Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H]([18F])C2)cc1
InChIKey: RECBFDWSXWAXHY-CABYTMRRSA-N
Target: Glutamate receptor ionotropic, NMDA 2B (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q00960
Assay: Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain striatum
Measurement: Kd = 9.3 nM (pChEMBL 8.029999732971191)
Descriptors: MW 358.42, ALogP 3.19, HBA 5, HBD 1, PSA 67.35, QED 0.89
Compound (SMILES): Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)[C@H]([18F])C2)cc1
InChIKey: RECBFDWSXWAXHY-TVEAWZLSSA-N
Target: Glutamate receptor ionotropic, NMDA 2B (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q00960
Assay: Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain striatum
Measurement: Kd = 5.1 nM (pChEMBL 8.289999961853027)
Descriptors: MW 358.42, ALogP 3.19, HBA 5, HBD 1, PSA 67.35, QED 0.89
Compound (SMILES): N#Cc1ccc(-c2ccc(C3=NOC(c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1
InChIKey: ZLCHYXMKVDHWGU-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49137
Assay: Inhibition of MK2 using 5TAMRA-KKLNRTLSVA-COOH as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by immobilized metal ion affinity-based fluorescence polarization assay in presence of 100 uM ATP
Measurement: IC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 553.63, ALogP 5.58, HBA 9, HBD 1, PSA 102.81, QED 0.29
Compound (SMILES): CNc1ncc2c(C(C)C)nn(C[C@H]3CC[C@H](O)CC3)c2n1
InChIKey: RCGOCNORRXHECG-HAQNSBGRSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 303.41, ALogP 2.54, HBA 6, HBD 2, PSA 75.86, QED 0.91
Compound (SMILES): CNc1ncc2c(C(C)C)nn(C[C@@H]3CCCN3)c2n1
InChIKey: QYXBUXFSNRWCSI-JTQLQIEISA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 274.37, ALogP 1.74, HBA 6, HBD 2, PSA 67.66, QED 0.89
Compound (SMILES): CNc1ncc2c(C(C)C)nn(CC3CCCNC3)c2n1
InChIKey: FMWJRFOMGKUIMW-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 4600 nM (pChEMBL 5.340000152587891)
Descriptors: MW 288.4, ALogP 1.99, HBA 6, HBD 2, PSA 67.66, QED 0.9
Compound (SMILES): CNc1ncc2c(C(C)C)nn(CC3CCNCC3)c2n1
InChIKey: HRHQKUTWEQVUDD-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 288.4, ALogP 1.99, HBA 6, HBD 2, PSA 67.66, QED 0.9
Compound (SMILES): C=C(C)c1nn(C[C@H]2CC[C@H](O)CC2)c2nc(NC)ncc12
InChIKey: WYCSYGHXJGVXDE-HAQNSBGRSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 13000 nM (pChEMBL 4.889999866485596)
Descriptors: MW 301.39, ALogP 2.45, HBA 6, HBD 2, PSA 75.86, QED 0.91
Compound (SMILES): CNc1ncc2c(-c3ccccc3)nn(C[C@H]3CC[C@H](O)CC3)c2n1
InChIKey: BJFADWIVXIPKGC-CTYIDZIISA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 2800 nM (pChEMBL 5.550000190734863)
Descriptors: MW 337.43, ALogP 3.09, HBA 6, HBD 2, PSA 75.86, QED 0.77
Compound (SMILES): CNc1ncc2c(-c3ccccc3)nn(C[C@H]3CC[C@@H](O)CC3)c2n1
InChIKey: BJFADWIVXIPKGC-OTVXOJSOSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 3500 nM (pChEMBL 5.460000038146973)
Descriptors: MW 337.43, ALogP 3.09, HBA 6, HBD 2, PSA 75.86, QED 0.77
Compound (SMILES): CNc1ncc2c(-c3ccccc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1
InChIKey: RENRJGXFTHYPPG-CTYIDZIISA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 336.44, ALogP 3.05, HBA 6, HBD 2, PSA 81.65, QED 0.77
Compound (SMILES): CNc1ncc2c(-c3ccccc3)nn(C[C@H]3CC[C@@H](N)CC3)c2n1
InChIKey: RENRJGXFTHYPPG-OTVXOJSOSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 4800 nM (pChEMBL 5.320000171661377)
Descriptors: MW 336.44, ALogP 3.05, HBA 6, HBD 2, PSA 81.65, QED 0.77
Compound (SMILES): CNc1ncc2c(-c3ccc(OC)cc3)nn(CC3CCC(N)CC3)c2n1
InChIKey: RROWXJNEWORONQ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 366.47, ALogP 3.06, HBA 7, HBD 2, PSA 90.88, QED 0.72
Compound (SMILES): CNc1ncc2c(-c3cccc(OC)c3)nn(CC3CCC(N)CC3)c2n1
InChIKey: JUQPSUXJSPFYGR-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 366.47, ALogP 3.06, HBA 7, HBD 2, PSA 90.88, QED 0.72
Compound (SMILES): CNc1ncc2c(-c3ccccc3OC)nn(CC3CCC(N)CC3)c2n1
InChIKey: FKBYTGDPKDUXOL-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 366.47, ALogP 3.06, HBA 7, HBD 2, PSA 90.88, QED 0.72
Compound (SMILES): CNc1ncc2c(-c3ccc(C(F)(F)F)cc3)nn(CC3CCC(N)CC3)c2n1
InChIKey: HDAXKYDWUMHJMD-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 220 nM (pChEMBL 6.659999847412109)
Descriptors: MW 404.44, ALogP 4.07, HBA 6, HBD 2, PSA 81.65, QED 0.69
Compound (SMILES): C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1
InChIKey: PMRJMYCLQDPGBL-JOCHJYFZSA-N
Target: Cytochrome P450 2C19 (SINGLE PROTEIN), Homo sapiens
UniProt: P33261
Assay: Inhibition of CYP2C19
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 449.6, ALogP 3.58, HBA 5, HBD 0, PSA 53.09, QED 0.43
Compound (SMILES): C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(F)(F)CC2)cc1
InChIKey: FYNKTKAUIWKPFC-QGZVFWFLSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human histamine H3 receptor by [35S]-GTPgammaS binding assay
Measurement: EC50 = 1.8 nM (pChEMBL 8.739999771118164)
Descriptors: MW 380.48, ALogP 3.85, HBA 4, HBD 0, PSA 32.78, QED 0.51
Compound (SMILES): COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
InChIKey: ZPGZREGNFRDDSM-GOSISDBHSA-N
Target: Cytochrome P450 2C19 (SINGLE PROTEIN), Homo sapiens
UniProt: P33261
Assay: Inhibition of CYP2C19
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 403.52, ALogP 2.51, HBA 6, HBD 0, PSA 62.32, QED 0.49
Compound (SMILES): CCOC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
InChIKey: OXYHPPLQRMOLJS-LJQANCHMSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYN8
Assay: Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells
Measurement: Ki = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 417.55, ALogP 2.9, HBA 6, HBD 0, PSA 62.32, QED 0.45
Compound (SMILES): Cn1c(-c2ccnc(Nc3ccccc3)n2)nc2ccccc21
InChIKey: XZWBCWGUXRTCRD-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
Measurement: IC50 = 38000 nM (pChEMBL 4.420000076293945)
Descriptors: MW 301.35, ALogP 3.77, HBA 5, HBD 1, PSA 55.63, QED 0.63
Compound (SMILES): Cc1ccc(Nc2nccc(-c3nc4ccccc4n3C)n2)cc1
InChIKey: AYDBKOFFSNZNIW-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
Measurement: IC50 = 58000 nM (pChEMBL 4.239999771118164)
Descriptors: MW 315.38, ALogP 4.08, HBA 5, HBD 1, PSA 55.63, QED 0.62
Compound (SMILES): Cn1c(-c2ccnc(Nc3ccc(Cl)cc3)n2)nc2ccccc21
InChIKey: MLYOBUVJVMVCCI-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
Measurement: IC50 = 69000 nM (pChEMBL 4.159999847412109)
Descriptors: MW 335.8, ALogP 4.43, HBA 5, HBD 1, PSA 55.63, QED 0.6
Compound (SMILES): Cn1c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)nc2ccccc21
InChIKey: JHACYRDRFCKQIN-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
Measurement: IC50 = 24000 nM (pChEMBL 4.619999885559082)
Descriptors: MW 386.46, ALogP 3.61, HBA 7, HBD 1, PSA 68.1, QED 0.58
Compound (SMILES): O=C(O)C[C@H]1CC[C@H](c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1
InChIKey: NGEBYTLALFOQKI-HDJSIYSDSA-N
Target: Diacylglycerol O-acyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75907
Assay: Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation counting
Measurement: IC50 = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 456.45, ALogP 5.09, HBA 6, HBD 3, PSA 117.35, QED 0.45
Compound (SMILES): CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIKey: ZXBGDMYNCLFGDV-UHFFFAOYSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 385.34, ALogP 3.48, HBA 3, HBD 1, PSA 38.82, QED 0.87
Compound (SMILES): O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1
InChIKey: GQDSQCQJLXEXKL-UHFFFAOYSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 780 nM (pChEMBL 6.110000133514404)
Descriptors: MW 371.31, ALogP 3.14, HBA 3, HBD 2, PSA 47.61, QED 0.86
Compound (SMILES): CCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIKey: MLZKBOIYCFMLEI-UHFFFAOYSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 123 nM (pChEMBL 6.909999847412109)
Descriptors: MW 399.37, ALogP 3.87, HBA 3, HBD 1, PSA 38.82, QED 0.84
Compound (SMILES): CCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIKey: MLZKBOIYCFMLEI-OAHLLOKOSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 399.37, ALogP 3.87, HBA 3, HBD 1, PSA 38.82, QED 0.84
Compound (SMILES): O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1
InChIKey: XJDNAMFCUOWNRL-FQEVSTJZSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 99 nM (pChEMBL 7)
Descriptors: MW 461.44, ALogP 5.06, HBA 3, HBD 1, PSA 38.82, QED 0.68
Compound (SMILES): O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CC3CC3)C2)CC1
InChIKey: AYGDAGGEXLYLEB-KRWDZBQOSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 425.4, ALogP 4.26, HBA 3, HBD 1, PSA 38.82, QED 0.77
Compound (SMILES): O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCc3ccccc3)C2)CC1
InChIKey: GRDNNNQJCZJMHL-OAQYLSRUSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 475.46, ALogP 5.1, HBA 3, HBD 1, PSA 38.82, QED 0.63
Compound (SMILES): O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCCc3ccccc3)C2)CC1
InChIKey: LHNFCNUXICTTPA-JOCHJYFZSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 64 nM (pChEMBL 7.190000057220459)
Descriptors: MW 489.49, ALogP 5.49, HBA 3, HBD 1, PSA 38.82, QED 0.56
Compound (SMILES): O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1
InChIKey: OULRKKBJQGZFKL-HNNXBMFYSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 411.38, ALogP 4.02, HBA 3, HBD 1, PSA 38.82, QED 0.81
Compound (SMILES): CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIKey: MRWPMHPRTUDIMC-INIZCTEOSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 413.39, ALogP 4.26, HBA 3, HBD 1, PSA 38.82, QED 0.8
Compound (SMILES): O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1
InChIKey: HTDQROHVXBFUTQ-HNNXBMFYSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 394.92, ALogP 3.5, HBA 3, HBD 1, PSA 38.82, QED 0.85
Compound (SMILES): O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1
InChIKey: OPWYDQPIOWOAOA-HNNXBMFYSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 444.93, ALogP 4.38, HBA 3, HBD 1, PSA 38.82, QED 0.75
Compound (SMILES): O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1
InChIKey: XFVGWEJQGGMTKW-HNNXBMFYSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 444.93, ALogP 4.38, HBA 3, HBD 1, PSA 38.82, QED 0.75
Compound (SMILES): Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1Cl
InChIKey: UYGVZNATVIIKQC-KRWDZBQOSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 390.96, ALogP 3.67, HBA 3, HBD 1, PSA 38.82, QED 0.85
Compound (SMILES): O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1
InChIKey: BODDKEARCIYMET-INIZCTEOSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 127 nM (pChEMBL 6.900000095367432)
Descriptors: MW 376.93, ALogP 3.36, HBA 3, HBD 1, PSA 38.82, QED 0.88
Compound (SMILES): O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1
InChIKey: XOFURTMJFUZZKK-INIZCTEOSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 171 nM (pChEMBL 6.769999980926514)
Descriptors: MW 376.93, ALogP 3.36, HBA 3, HBD 1, PSA 38.82, QED 0.88
Compound (SMILES): O=C(Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1
InChIKey: IDIFNRFDYWJENT-INIZCTEOSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 58 nM (pChEMBL 7.239999771118164)
Descriptors: MW 421.38, ALogP 3.47, HBA 3, HBD 1, PSA 38.82, QED 0.81
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1
InChIKey: WWOUDWIOTMVQOQ-INIZCTEOSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 98 nM (pChEMBL 7.010000228881836)
Descriptors: MW 410.48, ALogP 3.73, HBA 3, HBD 1, PSA 38.82, QED 0.82
Compound (SMILES): O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1
InChIKey: LHBZPIMWVGKCEK-INIZCTEOSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 68 nM (pChEMBL 7.170000076293945)
Descriptors: MW 410.48, ALogP 3.73, HBA 3, HBD 1, PSA 38.82, QED 0.82
Compound (SMILES): CCN1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIKey: GRFCHFVLEURDEF-OAHLLOKOSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 64 nM (pChEMBL 7.190000057220459)
Descriptors: MW 401.34, ALogP 2.86, HBA 4, HBD 1, PSA 48.05, QED 0.84
Compound (SMILES): O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CN(C3CC3)CCO2)CC1
InChIKey: IXACLKNSEGSKGF-INIZCTEOSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 267 nM (pChEMBL 6.570000171661377)
Descriptors: MW 413.35, ALogP 3.01, HBA 4, HBD 1, PSA 48.05, QED 0.82
Compound (SMILES): CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIKey: ZNBMAQXAVPNARC-INIZCTEOSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 415.37, ALogP 3.25, HBA 4, HBD 1, PSA 48.05, QED 0.82
Compound (SMILES): CC(C)N1CCN[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIKey: JLIQXCXVUXMOQX-INIZCTEOSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 414.38, ALogP 2.83, HBA 4, HBD 2, PSA 50.85, QED 0.8
Compound (SMILES): CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIKey: USNLEYVXXNQTEL-CQSZACIVSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 856 nM (pChEMBL 6.070000171661377)
Descriptors: MW 413.35, ALogP 3.4, HBA 3, HBD 1, PSA 55.89, QED 0.83
Compound (SMILES): CCN1CCOC(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIKey: NMHTYHFKNNSTEZ-UHFFFAOYSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 2570 nM (pChEMBL 5.590000152587891)
Descriptors: MW 415.32, ALogP 2.39, HBA 4, HBD 1, PSA 65.12, QED 0.82
Compound (SMILES): CCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIKey: ZROZNHFYOJBHID-MRXNPFEDSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 414.34, ALogP 1.96, HBA 4, HBD 2, PSA 67.92, QED 0.79
Compound (SMILES): O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CN(C3CC3)CCN2)CC1
InChIKey: GZJSBOQLHKXVLJ-QGZVFWFLSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 32 nM (pChEMBL 7.5)
Descriptors: MW 426.35, ALogP 2.11, HBA 4, HBD 2, PSA 67.92, QED 0.78
Compound (SMILES): CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIKey: OOGWCCRYNCAIBK-QGZVFWFLSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 3.5 nM (pChEMBL 8.460000038146973)
Descriptors: MW 428.36, ALogP 2.35, HBA 4, HBD 2, PSA 67.92, QED 0.78
Compound (SMILES): CN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIKey: AGOIHCOCOBMQTP-OAHLLOKOSA-N
Target: C-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P41597
Assay: Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
Measurement: IC50 = 69 nM (pChEMBL 7.159999847412109)
Descriptors: MW 400.31, ALogP 1.57, HBA 4, HBD 2, PSA 67.92, QED 0.79
Compound (SMILES): NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCCc4ccccc4)nc32)CC1
InChIKey: SSWDFFYWXHKOMP-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 440.6, ALogP 5.06, HBA 6, HBD 2, PSA 81.65, QED 0.37
Compound (SMILES): CNc1ncc2c(-c3ccc(-c4ccccc4)cc3)nn(CC3CCC(N)CC3)c2n1
InChIKey: UOYIIWVJEPEEOF-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 412.54, ALogP 4.72, HBA 6, HBD 2, PSA 81.65, QED 0.5
Compound (SMILES): CNc1ncc2c(-c3cccnc3)nn(CC3CCC(N)CC3)c2n1
InChIKey: RJSUQBZTJGZMTH-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 5400 nM (pChEMBL 5.269999980926514)
Descriptors: MW 337.43, ALogP 2.45, HBA 7, HBD 2, PSA 94.54, QED 0.76
Compound (SMILES): CNc1ncc2c(-c3ccc(F)nc3)nn(CC3CCC(N)CC3)c2n1
InChIKey: ADELQQCPARGKLR-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 610 nM (pChEMBL 6.210000038146973)
Descriptors: MW 355.42, ALogP 2.59, HBA 7, HBD 2, PSA 94.54, QED 0.7
Compound (SMILES): CNc1ncc2c(-c3ccc(N4CCNCC4)nc3)nn(CC3CCC(N)CC3)c2n1
InChIKey: ISZNFBSZRWOLFS-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 57 nM (pChEMBL 7.239999771118164)
Descriptors: MW 421.55, ALogP 1.86, HBA 9, HBD 3, PSA 109.81, QED 0.57
Compound (SMILES): CNc1ncc2c(-c3ccc(N4CCNCC4)cc3)nn(CC3CCC(N)CC3)c2n1
InChIKey: ZICDFYRPBWSYAQ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 420.57, ALogP 2.46, HBA 8, HBD 3, PSA 96.92, QED 0.58
Compound (SMILES): CN(C)c1ncc2c(-c3ccccc3)nn(CC3CCC(N)CC3)c2n1
InChIKey: KHEFYARXAMKJDH-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 22000 nM (pChEMBL 4.659999847412109)
Descriptors: MW 350.47, ALogP 3.08, HBA 6, HBD 1, PSA 72.86, QED 0.78
Compound (SMILES): CCCNc1ncc2c(-c3ccccc3)nn(CC3CCC(N)CC3)c2n1
InChIKey: MQWWFFUKPGKZQF-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 364.5, ALogP 3.83, HBA 6, HBD 2, PSA 81.65, QED 0.69
Compound (SMILES): CCCCNc1ncc2c(-c3ccccc3)nn(CC3CCC(N)CC3)c2n1
InChIKey: JHLDSSUQVZCRDO-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 378.52, ALogP 4.22, HBA 6, HBD 2, PSA 81.65, QED 0.6
Compound (SMILES): CCCCCNc1ncc2c(-c3ccccc3)nn(CC3CCC(N)CC3)c2n1
InChIKey: JZBDNDJNPAVSSE-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 392.55, ALogP 4.61, HBA 6, HBD 2, PSA 81.65, QED 0.55
Compound (SMILES): CC(C)Nc1ncc2c(-c3ccccc3)nn(CC3CCC(N)CC3)c2n1
InChIKey: DVHKNGCCUGNVQZ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 364.5, ALogP 3.83, HBA 6, HBD 2, PSA 81.65, QED 0.72
Compound (SMILES): NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NC4CCC4)nc32)CC1
InChIKey: NKPYAWCAMKAQPM-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 450 nM (pChEMBL 6.349999904632568)
Descriptors: MW 376.51, ALogP 3.98, HBA 6, HBD 2, PSA 81.65, QED 0.7
Compound (SMILES): COCCNc1ncc2c(-c3ccccc3)nn(CC3CCC(N)CC3)c2n1
InChIKey: FWKPMQSKTCDKAE-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 660 nM (pChEMBL 6.179999828338623)
Descriptors: MW 380.5, ALogP 3.07, HBA 7, HBD 2, PSA 90.88, QED 0.61
Compound (SMILES): NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCCN4CCOCC4)nc32)CC1
InChIKey: BXLNUAFWSAKMDZ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 17000 nM (pChEMBL 4.769999980926514)
Descriptors: MW 449.6, ALogP 3.15, HBA 8, HBD 2, PSA 94.12, QED 0.51
Compound (SMILES): NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCc4ccccc4)nc32)CC1
InChIKey: GPXJRVLKUZJOES-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 412.54, ALogP 4.62, HBA 6, HBD 2, PSA 81.65, QED 0.48
Compound (SMILES): COc1ccc(CNc2ncc3c(-c4ccccc4)nn(CC4CCC(N)CC4)c3n2)cc1
InChIKey: RQLIPWFEJMTOJH-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 59 nM (pChEMBL 7.230000019073486)
Descriptors: MW 442.57, ALogP 4.63, HBA 7, HBD 2, PSA 90.88, QED 0.43
Compound (SMILES): NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCc4ccccc4)nc32)CC1
InChIKey: QJLMOARFSPIREY-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 426.57, ALogP 4.67, HBA 6, HBD 2, PSA 81.65, QED 0.45
Compound (SMILES): CCCCNc1ncc2c(-c3ccc(N4CCNCC4)nc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1
InChIKey: YKSFAELRDYTAHZ-KESTWPANSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 463.63, ALogP 3.03, HBA 9, HBD 3, PSA 109.81, QED 0.44
Compound (SMILES): N[C@H]1CC[C@H](Cn2nc(-c3ccc(N4CCNCC4)nc3)c3cnc(NCCCc4ccccc4)nc32)CC1
InChIKey: DNXCFFPPWFGXKA-ALOJWSFFSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 525.71, ALogP 3.86, HBA 9, HBD 3, PSA 109.81, QED 0.28
Compound (SMILES): CCCCNc1ncc2c(-c3ccc(N4CCNCC4)cc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1
InChIKey: KSZDMKRJEQNXAQ-XUTJKUGGSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 2.9 nM (pChEMBL 8.539999961853027)
Descriptors: MW 462.65, ALogP 3.63, HBA 8, HBD 3, PSA 96.92, QED 0.44
Compound (SMILES): N[C@H]1CC[C@H](Cn2nc(-c3ccc(N4CCNCC4)cc3)c3cnc(NCCCc4ccccc4)nc32)CC1
InChIKey: FAOUZNFWHWLTIC-YOCNBXQISA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 1.4 nM (pChEMBL 8.850000381469727)
Descriptors: MW 524.72, ALogP 4.47, HBA 8, HBD 3, PSA 96.92, QED 0.28
Compound (SMILES): CCCCNc1ncc2c(-c3ccc(F)cc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1
InChIKey: OGEBRHQLRGFBNV-RZDIXWSQSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 396.51, ALogP 4.36, HBA 6, HBD 2, PSA 81.65, QED 0.58
Compound (SMILES): N[C@H]1CC[C@H](Cn2nc(-c3ccc(F)cc3)c3cnc(NCCCc4ccccc4)nc32)CC1
InChIKey: VXENEMCDVCFWGW-JKIUYZKVSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 458.59, ALogP 5.19, HBA 6, HBD 2, PSA 81.65, QED 0.36
Compound (SMILES): CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
InChIKey: HJPYUWOIOYQZJD-UHFFFAOYSA-N
Target: Hydroxycarboxylic acid receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q80Z39
Assay: Agonist activity at rat GPR109a
Measurement: EC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 236.23, ALogP 0.51, HBA 4, HBD 2, PSA 95.93, QED 0.81
Compound (SMILES): Cn1c(-c2ccnc(Nc3ccc(O)c(Cl)c3)n2)nc2ccccc21
InChIKey: MQKRJXAMWDNEQQ-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
Measurement: IC50 = 10400 nM (pChEMBL 4.980000019073486)
Descriptors: MW 351.8, ALogP 4.13, HBA 6, HBD 2, PSA 75.86, QED 0.54
Compound (SMILES): COc1ccc(Nc2nccc(-c3nc4ccccc4n3C)n2)cc1O
InChIKey: YVQWJUWRPUTYMY-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
Measurement: IC50 = 3400 nM (pChEMBL 5.46999979019165)
Descriptors: MW 347.38, ALogP 3.49, HBA 7, HBD 2, PSA 85.09, QED 0.59
Compound (SMILES): CCOc1ccc(Nc2nccc(-c3nc4ccccc4n3C)n2)cc1
InChIKey: INVYTVJSPDWQAX-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 345.41, ALogP 4.17, HBA 6, HBD 1, PSA 64.86, QED 0.59
Compound (SMILES): COc1ccc(Nc2nccc(-c3nc4ccccc4n3C)n2)cc1
InChIKey: QYUAAGZZXLCOSX-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
Measurement: IC50 = 27000 nM (pChEMBL 4.570000171661377)
Descriptors: MW 331.38, ALogP 3.78, HBA 6, HBD 1, PSA 64.86, QED 0.62
Compound (SMILES): Cn1c(-c2ccnc(Nc3ccc(O)cc3)n2)nc2ccccc21
InChIKey: AIOUPIKZGJLTGH-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
Measurement: IC50 = 11400 nM (pChEMBL 4.940000057220459)
Descriptors: MW 317.35, ALogP 3.48, HBA 6, HBD 2, PSA 75.86, QED 0.57
Compound (SMILES): Cn1c(-c2ccnc(Nc3cccc(O)c3)n2)nc2ccccc21
InChIKey: UCVQLBSVUSGATC-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
Measurement: IC50 = 5200 nM (pChEMBL 5.28000020980835)
Descriptors: MW 317.35, ALogP 3.48, HBA 6, HBD 2, PSA 75.86, QED 0.6