Compile Data Set for Download or QSAR

Found 2661 hits of ic50 for UniProtKB: Q05397   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50513279 (CHEMBL4554455) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)SCCN(C)C)ncc1C(F)(F)F Show InChI InChI=1S/C29H33F3N8O2S2/c1-33-25(41)21-6-4-5-7-23(21)36-24-22(29(30,31)32)18-34-27(37-24)35-20-10-8-19(9-11-20)26(42)39-12-14-40(15-13-39)28(43)44-17-16-38(2)3/h4-11,18H,12-17H2,1-3H3,(H,33,41)(H2,34,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Gl...				Eur J Med Chem 177: 32-46 (2019) Article DOI: 10.1016/j.ejmech.2019.05.048 BindingDB Entry DOI: 10.7270/Q2XS5ZQT
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590475 (CHEMBL5170906) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCSCC3)cc2)ncc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590490 (CHEMBL5198068) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CN3CCC(CC3)C(=O)NCCCCCC(=O)NO)cc2)ncc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.108	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590479 (CHEMBL5196177) Show SMILES CCOP(=O)(CC(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.117	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590489 (CHEMBL5176233) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(CC3)C(=O)NCCCCCC(=O)NO)cc2)ncc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.124	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590488 (CHEMBL5206909) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCC(=O)NO)ncc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.153	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590483 (CHEMBL5187385) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CN3CCC(CC3)C(O)=O)cc2)ncc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.161	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590484 (CHEMBL5190968) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(CC3)C(=O)NCCO)cc2)ncc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.192	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590485 (CHEMBL5177776) Show SMILES CCC(C)C(CO)NC(=O)C1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.194	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590474 (CHEMBL5176990) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(CO)CC3)cc2)ncc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.213	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590477 (CHEMBL5204729) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)ncc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.275	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590482 (CHEMBL5186801) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(CC3)C(O)=O)cc2)ncc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.296	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155552 (US9012461, 28) Show SMILES CN1CCc2cc(Nc3ncc(c(CCc4ccccc4CC(N)=O)n3)C(F)(F)F)ccc2C1 Show InChI InChI=1S/C25H26F3N5O/c1-33-11-10-18-12-20(8-6-19(18)15-33)31-24-30-14-21(25(26,27)28)22(32-24)9-7-16-4-2-3-5-17(16)13-23(29)34/h2-6,8,12,14H,7,9-11,13,15H2,1H3,(H2,29,34)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590476 (CHEMBL5178369) Show SMILES CCOP(=O)(Cc1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.315	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590487 (CHEMBL5199835) Show SMILES COC(=O)CCCCCNC(=O)C1CCN(CC(=O)Nc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.315	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418652 (4-{[4-({3- [methyl(methylsulfonyl)amino]benzyl} am...) Show SMILES CN(c1cccc(CNc2nc(Nc3ccc(cc3)C(N)=O)ncc2C(F)(F)F)c1)S(C)(=O)=O Show InChI InChI=1S/C21H21F3N6O3S/c1-30(34(2,32)33)16-5-3-4-13(10-16)11-26-19-17(21(22,23)24)12-27-20(29-19)28-15-8-6-14(7-9-15)18(25)31/h3-10,12H,11H2,1-2H3,(H2,25,31)(H2,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155547 (US9012461, 23) Show SMILES CC(=O)N1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H30F3N5O2/c1-18(37)36-14-12-21(13-15-36)20-6-9-23(10-7-20)34-27-33-17-24(28(29,30)31)25(35-27)11-8-19-4-2-3-5-22(19)16-26(32)38/h2-7,9-10,17,21H,8,11-16H2,1H3,(H2,32,38)(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50568532 (CHEMBL4742157) Show SMILES CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01248 BindingDB Entry DOI: 10.7270/Q24T6P31
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Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM418817 (N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant FAK (unknown origin) by radiometric kinase assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00459 BindingDB Entry DOI: 10.7270/Q2TT4VSH
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50246239 (CHEMBL487229 | N-methyl-N-(2-((2-(1-oxoisoindolin-...) Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3C(=O)NCc3c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)10-26-19-17(22(23,24)25)12-28-21(30-19)29-15-7-8-16-14(9-15)11-27-20(16)32/h3-9,12H,10-11H2,1-2H3,(H,27,32)(H2,26,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation				Bioorg Med Chem Lett 18: 6071-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.030 BindingDB Entry DOI: 10.7270/Q2C8295H
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50207351 (CHEMBL3965256) Show SMILES CS(=O)(=O)N(CC=C)c1ncccc1CNc1nc(Nc2ccc(N3CCOCC3)c(Br)c2)ncc1C(F)(F)F Show InChI InChI=1S/C25H27BrF3N7O3S/c1-3-9-36(40(2,37)38)23-17(5-4-8-30-23)15-31-22-19(25(27,28)29)16-32-24(34-22)33-18-6-7-21(20(26)14-18)35-10-12-39-13-11-35/h3-8,14,16H,1,9-13,15H2,2H3,(H2,31,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of NH2-terminal His6-tagged FAK kinase domain (410 to 689 residues) (unknown origin) expressed in baculovirus infected sf9 cells using p(G...				Bioorg Med Chem Lett 26: 5926-5930 (2016) Article DOI: 10.1016/j.bmcl.2016.10.092 BindingDB Entry DOI: 10.7270/Q2ST7RTJ
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50207359 (CHEMBL3892377) Show SMILES CS(=O)(=O)N(CC=C)c1ncccc1CNc1nc(Nc2cccc(Br)c2)ncc1C(F)(F)F Show InChI InChI=1S/C21H20BrF3N6O2S/c1-3-10-31(34(2,32)33)19-14(6-5-9-26-19)12-27-18-17(21(23,24)25)13-28-20(30-18)29-16-8-4-7-15(22)11-16/h3-9,11,13H,1,10,12H2,2H3,(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of NH2-terminal His6-tagged FAK kinase domain (410 to 689 residues) (unknown origin) expressed in baculovirus infected sf9 cells using p(G...				Bioorg Med Chem Lett 26: 5926-5930 (2016) Article DOI: 10.1016/j.bmcl.2016.10.092 BindingDB Entry DOI: 10.7270/Q2ST7RTJ
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50592745 (CHEMBL5188373) Show SMILES COCC1CN(C1)C1CCN(CC1)c1cc(OC)c(Nc2ncc(Br)c(Nc3ccc4OCCOc4c3P(C)(C)=O)n2)cc1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116907 BindingDB Entry DOI: 10.7270/Q2J96BC1
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590486 (CHEMBL5177168) Show SMILES COC(=O)CCCCCNC(=O)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.514	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50590473 (CHEMBL5192604) Show SMILES CCOC(=O)C1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.579	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418651 (US10450297, Example 98 | ethyl [4-({4-[({2- [methy...) Show SMILES CCOC(=O)Cc1ccc(Nc2ncc(c(NCc3cccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C23H25F3N6O4S/c1-4-36-19(33)12-15-7-9-17(10-8-15)30-22-29-14-18(23(24,25)26)20(31-22)28-13-16-6-5-11-27-21(16)32(2)37(3,34)35/h5-11,14H,4,12-13H2,1-3H3,(H2,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418650 (N-ethyl-4-({4-[({3- [methyl(methylsulfonyl)amino]p...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(c(NCc3ncccc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H24F3N7O3S/c1-4-26-20(33)14-7-9-15(10-8-14)30-21-29-12-16(22(23,24)25)19(31-21)28-13-17-18(6-5-11-27-17)32(2)36(3,34)35/h5-12H,4,13H2,1-3H3,(H,26,33)(H2,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418649 (N-methyl-4-{[4-({2- [methyl(methylsulfonyl)amino]b...) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H23F3N6O3S/c1-26-20(32)14-8-10-16(11-9-14)29-21-28-13-17(22(23,24)25)19(30-21)27-12-15-6-4-5-7-18(15)31(2)35(3,33)34/h4-11,13H,12H2,1-3H3,(H,26,32)(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418634 (N-[5-({[2-anilino-5- (trifluoromethyl)pyrimidin-4-...) Show SMILES CN(c1cc(C)ncc1CNc1nc(Nc2ccccc2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C20H21F3N6O2S/c1-13-9-17(29(2)32(3,30)31)14(10-24-13)11-25-18-16(20(21,22)23)12-26-19(28-18)27-15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3,(H2,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418624 (N-[2-(([2-anilino-5- (trifluoromethyl)pyrimidin-4-...) Show SMILES CS(=O)(=O)Nc1ccccc1CNc1nc(Nc2ccccc2)ncc1C(F)(F)F Show InChI InChI=1S/C19H18F3N5O2S/c1-30(28,29)27-16-10-6-5-7-13(16)11-23-17-15(19(20,21)22)12-24-18(26-17)25-14-8-3-2-4-9-14/h2-10,12,27H,11H2,1H3,(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418610 (N-methyl-4-({4-[({6-methyl-2- [methyl(methylsulfon...) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccc(C)nc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H24F3N7O3S/c1-13-5-6-15(19(29-13)32(3)36(4,34)35)11-27-18-17(22(23,24)25)12-28-21(31-18)30-16-9-7-14(8-10-16)20(33)26-2/h5-10,12H,11H2,1-4H3,(H,26,33)(H2,27,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418609 (N-methyl-4-({4-[({2- [methyl(methylsulfonyl)amino]...) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3cccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H22F3N7O3S/c1-25-19(32)13-6-8-15(9-7-13)29-20-28-12-16(21(22,23)24)17(30-20)27-11-14-5-4-10-26-18(14)31(2)35(3,33)34/h4-10,12H,11H2,1-3H3,(H,25,32)(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418607 (N-[3-({[2-anilino-5- (trifluoromethyl)pyrimidin-4-...) Show SMILES CN(c1nc(C)ccc1CNc1nc(Nc2ccccc2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C20H21F3N6O2S/c1-13-9-10-14(18(26-13)29(2)32(3,30)31)11-24-17-16(20(21,22)23)12-25-19(28-17)27-15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3,(H2,24,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418606 (N-[3-({[2-anilino-5- (trifluoromethyl)pyrimidin-4-...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccccc2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C19H19F3N6O2S/c1-28(31(2,29)30)17-13(7-6-10-23-17)11-24-16-15(19(20,21)22)12-25-18(27-16)26-14-8-4-3-5-9-14/h3-10,12H,11H2,1-2H3,(H2,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418605 (3-methoxy-4-({4-[({6-methyl-2- [methyl(methylsulfo...) Show SMILES COc1cc(ccc1Nc1ncc(c(NCc2ccc(C)nc2N(C)S(C)(=O)=O)n1)C(F)(F)F)C(N)=O Show InChI InChI=1S/C22H24F3N7O4S/c1-12-5-6-14(20(29-12)32(2)37(4,34)35)10-27-19-15(22(23,24)25)11-28-21(31-19)30-16-8-7-13(18(26)33)9-17(16)36-3/h5-9,11H,10H2,1-4H3,(H2,26,33)(H2,27,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418603 (3-methoxy-4-{[4-{[3- (methylsulfonyl)benzyl]amino}...) Show SMILES COc1cc(ccc1Nc1ncc(c(NCc2cccc(c2)S(C)(=O)=O)n1)C(F)(F)F)C(N)=O Show InChI InChI=1S/C21H20F3N5O4S/c1-33-17-9-13(18(25)30)6-7-16(17)28-20-27-11-15(21(22,23)24)19(29-20)26-10-12-4-3-5-14(8-12)34(2,31)32/h3-9,11H,10H2,1-2H3,(H2,25,30)(H2,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418597 (US10450297, Example 40 | methyl 4-({4-[({2- [methy...) Show SMILES COC(=O)c1ccc(Nc2ncc(c(NCc3cccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H21F3N6O4S/c1-30(35(3,32)33)18-14(5-4-10-25-18)11-26-17-16(21(22,23)24)12-27-20(29-17)28-15-8-6-13(7-9-15)19(31)34-2/h4-10,12H,11H2,1-3H3,(H2,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418659 (4-{[4-({2-methyl-6- [methyl(methylsulfonyl)amino]b...) Show SMILES CN(c1cccc(C)c1CNc1nc(Nc2ccc(cc2)C(N)=O)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C22H23F3N6O3S/c1-13-5-4-6-18(31(2)35(3,33)34)16(13)11-27-20-17(22(23,24)25)12-28-21(30-20)29-15-9-7-14(8-10-15)19(26)32/h4-10,12H,11H2,1-3H3,(H2,26,32)(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418604 (3-methoxy-4-({4-[({2- [methyl(methylsuffonyl)amino...) Show SMILES COc1cc(ccc1Nc1ncc(c(NCc2cccnc2N(C)S(C)(=O)=O)n1)C(F)(F)F)C(N)=O Show InChI InChI=1S/C21H22F3N7O4S/c1-31(36(3,33)34)19-13(5-4-8-26-19)10-27-18-14(21(22,23)24)11-28-20(30-18)29-15-7-6-12(17(25)32)9-16(15)35-2/h4-9,11H,10H2,1-3H3,(H2,25,32)(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418653 (N-methyl-4-{[4-({3- [methyl(methylsulfonyl)amino]b...) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3cccc(c3)N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H23F3N6O3S/c1-26-20(32)15-7-9-16(10-8-15)29-21-28-13-18(22(23,24)25)19(30-21)27-12-14-5-4-6-17(11-14)31(2)35(3,33)34/h4-11,13H,12H2,1-3H3,(H,26,32)(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418655 (N-methyl-4-({4-[({6-methyl-4- [methyl(methylsulfon...) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3cnc(C)cc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H24F3N7O3S/c1-13-9-18(32(3)36(4,34)35)15(10-27-13)11-28-19-17(22(23,24)25)12-29-21(31-19)30-16-7-5-14(6-8-16)20(33)26-2/h5-10,12H,11H2,1-4H3,(H,26,33)(H2,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418656 (N-[3-({[2-{[4-(aminomethyl)phenyl]amino}- 5-(trifl...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc(CN)cc2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C20H22F3N7O2S/c1-30(33(2,31)32)18-14(4-3-9-25-18)11-26-17-16(20(21,22)23)12-27-19(29-17)28-15-7-5-13(10-24)6-8-15/h3-9,12H,10-11,24H2,1-2H3,(H2,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418856 (N-[2-({[2-({4-[(1S)-1- aminoethyl]phenyl}amino)-5-...) Show SMILES C[C@H](N)c1ccc(Nc2ncc(c(NCc3ncccc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H24F3N7O2S/c1-13(25)14-6-8-15(9-7-14)29-20-28-11-16(21(22,23)24)19(30-20)27-12-17-18(5-4-10-26-17)31(2)34(3,32)33/h4-11,13H,12,25H2,1-3H3,(H2,27,28,29,30)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.593	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418851 (N-[3-({[2-({4-[(1R)-1- aminoethyl]phenyl}amino)-5-...) Show SMILES C[C@H](N)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C20H23F3N8O2S/c1-12(24)13-4-6-14(7-5-13)29-19-28-10-15(20(21,22)23)17(30-19)27-11-16-18(26-9-8-25-16)31(2)34(3,32)33/h4-10,12H,11,24H2,1-3H3,(H2,27,28,29,30)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.595	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418858 (2-chloro-4-({4-[({2- [methyl(methylsulfonyl)amino]...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc(C(N)=O)c(Cl)c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C20H19ClF3N7O3S/c1-31(35(2,33)34)18-11(4-3-7-26-18)9-27-17-14(20(22,23)24)10-28-19(30-17)29-12-5-6-13(16(25)32)15(21)8-12/h3-8,10H,9H2,1-2H3,(H2,25,32)(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.595	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418859 (2-chloro-4-({4-[({3- [methyl(methylsulfonyl)amino]...) Show SMILES CN(c1cccnc1CNc1nc(Nc2ccc(C(N)=O)c(Cl)c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C20H19ClF3N7O3S/c1-31(35(2,33)34)16-4-3-7-26-15(16)10-27-18-13(20(22,23)24)9-28-19(30-18)29-11-5-6-12(17(25)32)14(21)8-11/h3-9H,10H2,1-2H3,(H2,25,32)(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.595	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418860 (2-chloro-4-({4-[({3- [methyl(methylsulfonyl)amino]...) Show SMILES CN(c1nccnc1CNc1nc(Nc2ccc(C(N)=O)c(Cl)c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C19H18ClF3N8O3S/c1-31(35(2,33)34)17-14(25-5-6-26-17)9-27-16-12(19(21,22)23)8-28-18(30-16)29-10-3-4-11(15(24)32)13(20)7-10/h3-8H,9H2,1-2H3,(H2,24,32)(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.595	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418862 (N-[2-({[2-({4-[(1R)-1- aminoethyl]phenyl}amino)-5-...) Show SMILES C[C@H](N)c1ccc(Nc2ncc(c(NCc3ccccc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H25F3N6O2S/c1-14(26)15-8-10-17(11-9-15)29-21-28-13-18(22(23,24)25)20(30-21)27-12-16-6-4-5-7-19(16)31(2)34(3,32)33/h4-11,13-14H,12,26H2,1-3H3,(H2,27,28,29,30)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.595	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418862 (N-[2-({[2-({4-[(1R)-1- aminoethyl]phenyl}amino)-5-...) Show SMILES C[C@H](N)c1ccc(Nc2ncc(c(NCc3ccccc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H25F3N6O2S/c1-14(26)15-8-10-17(11-9-15)29-21-28-13-18(22(23,24)25)20(30-21)27-12-16-6-4-5-7-19(16)31(2)34(3,32)33/h4-11,13-14H,12,26H2,1-3H3,(H2,27,28,29,30)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.595	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418866 (N-[3-({4-[({2- [methyl(methylsulfonyl)amino]pyridi...) Show SMILES CN(c1ncccc1CNc1nc(Nc2cccc(NC(C)=O)c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C21H22F3N7O3S/c1-13(32)28-15-7-4-8-16(10-15)29-20-27-12-17(21(22,23)24)18(30-20)26-11-14-6-5-9-25-19(14)31(2)35(3,33)34/h4-10,12H,11H2,1-3H3,(H,28,32)(H2,26,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.595	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
					More data for this Ligand-Target Pair

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