Compile Data Set for Download or QSAR

Found 484 hits with Last Name = 'hulford' and Initial = 'ca'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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))	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 [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))	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))	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))	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))	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))	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))	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))	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))	BDBM418822 (3-fluoro-4-({4-[({2- [methyl(methylsulfonyl)amino]...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc(cc2F)C(N)=O)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C20H19F4N7O3S/c1-31(35(2,33)34)18-12(4-3-7-26-18)9-27-17-13(20(22,23)24)10-28-19(30-17)29-15-6-5-11(16(25)32)8-14(15)21/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))	BDBM418834 (2-methyl-4-({4-[({2- [methyl(methylsulfonyl)amino]...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc(C(N)=O)c(C)c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C21H22F3N7O3S/c1-12-9-14(6-7-15(12)17(25)32)29-20-28-11-16(21(22,23)24)18(30-20)27-10-13-5-4-8-26-19(13)31(2)35(3,33)34/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	<0.595	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))	BDBM418834 (2-methyl-4-({4-[({2- [methyl(methylsulfonyl)amino]...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc(C(N)=O)c(C)c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C21H22F3N7O3S/c1-12-9-14(6-7-15(12)17(25)32)29-20-28-11-16(21(22,23)24)18(30-20)27-10-13-5-4-8-26-19(13)31(2)35(3,33)34/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	<0.595	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))	BDBM418836 (2-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...) Show SMILES CN(c1cccnc1CNc1nc(Nc2ccc(C(N)=O)c(C)c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C21H22F3N7O3S/c1-12-9-13(6-7-14(12)18(25)32)29-20-28-10-15(21(22,23)24)19(30-20)27-11-16-17(5-4-8-26-16)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(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	<0.595	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))	BDBM418836 (2-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...) Show SMILES CN(c1cccnc1CNc1nc(Nc2ccc(C(N)=O)c(C)c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C21H22F3N7O3S/c1-12-9-13(6-7-14(12)18(25)32)29-20-28-10-15(21(22,23)24)19(30-20)27-11-16-17(5-4-8-26-16)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(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	<0.595	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))	BDBM418838 (2-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...) Show SMILES CN(c1nccnc1CNc1nc(Nc2ccc(C(N)=O)c(C)c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C20H21F3N8O3S/c1-11-8-12(4-5-13(11)16(24)32)29-19-28-9-14(20(21,22)23)17(30-19)27-10-15-18(26-7-6-25-15)31(2)35(3,33)34/h4-9H,10H2,1-3H3,(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))	BDBM418838 (2-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...) Show SMILES CN(c1nccnc1CNc1nc(Nc2ccc(C(N)=O)c(C)c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C20H21F3N8O3S/c1-11-8-12(4-5-13(11)16(24)32)29-19-28-9-14(20(21,22)23)17(30-19)27-10-15-18(26-7-6-25-15)31(2)35(3,33)34/h4-9H,10H2,1-3H3,(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))	BDBM418840 (2-methyl-4-{[4-({3- [methyl(methylsulfonyl)amino]b...) Show SMILES CN(c1cccc(CNc2nc(Nc3ccc(C(N)=O)c(C)c3)ncc2C(F)(F)F)c1)S(C)(=O)=O Show InChI InChI=1S/C22H23F3N6O3S/c1-13-9-15(7-8-17(13)19(26)32)29-21-28-12-18(22(23,24)25)20(30-21)27-11-14-5-4-6-16(10-14)31(2)35(3,33)34/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	<0.595	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))	BDBM418841 (3-methyl-4-({4-[({2- [methyl(methylsulfonyl)amino]...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc(cc2C)C(N)=O)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C21H22F3N7O3S/c1-12-9-13(17(25)32)6-7-16(12)29-20-28-11-15(21(22,23)24)18(30-20)27-10-14-5-4-8-26-19(14)31(2)35(3,33)34/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	<0.595	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))	BDBM418849 (N-methyl-N-[3-({[2-{[4-(morpholin-4- ylmethyl)phen...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc(CN3CCOCC3)cc2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C24H28F3N7O3S/c1-33(38(2,35)36)22-18(4-3-9-28-22)14-29-21-20(24(25,26)27)15-30-23(32-21)31-19-7-5-17(6-8-19)16-34-10-12-37-13-11-34/h3-9,15H,10-14,16H2,1-2H3,(H2,29,30,31,32)	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))	BDBM418852 (N-[2-({[2-({4-[(1R)-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-/m1/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))	BDBM418853 (N-[3-({[2-({4-[(1R)-1- aminoethyl]phenyl}amino)-5-...) Show SMILES C[C@@H](N)c1ccc(Nc2ncc(c(NCc3cccc(c3)N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H25F3N6O2S/c1-14(26)16-7-9-17(10-8-16)29-21-28-13-19(22(23,24)25)20(30-21)27-12-15-5-4-6-18(11-15)31(2)34(3,32)33/h4-11,13-14H,12,26H2,1-3H3,(H2,27,28,29,30)/t14-/m1/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))	BDBM418854 (N-[3-({[2-({4-[(1R)-1- aminoethyl]phenyl}amino)-5-...) Show SMILES C[C@@H](N)c1ccc(Nc2ncc(c(NCc3cccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H24F3N7O2S/c1-13(25)14-6-8-16(9-7-14)29-20-28-12-17(21(22,23)24)18(30-20)27-11-15-5-4-10-26-19(15)31(2)34(3,32)33/h4-10,12-13H,11,25H2,1-3H3,(H2,27,28,29,30)/t13-/m1/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))	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))	BDBM418820 (2-fluoro-4-({4-[({2- [methyl(methylsulfonyl)amino]...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc(C(N)=O)c(F)c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C20H19F4N7O3S/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))	BDBM418819 (N-[3-({[2-{[4- (hydroxymethyl)phenyl]amino}-5- (tr...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc(CO)cc2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C20H21F3N6O3S/c1-29(33(2,31)32)18-14(4-3-9-24-18)10-25-17-16(20(21,22)23)11-26-19(28-17)27-15-7-5-13(12-30)6-8-15/h3-9,11,30H,10,12H2,1-2H3,(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	<0.595	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))	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 GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB 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))	BDBM418814 (N-methyl-N-[3-({[2-{[4-(1H-tetrazol-5- yl)phenyl]a...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc(cc2)-c2nnn[nH]2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C20H19F3N10O2S/c1-33(36(2,34)35)18-13(4-3-9-24-18)10-25-17-15(20(21,22)23)11-26-19(28-17)27-14-7-5-12(6-8-14)16-29-31-32-30-16/h3-9,11H,10H2,1-2H3,(H2,25,26,27,28)(H,29,30,31,32)	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))	BDBM418801 (N-[3-({[2-{[3-(1- hydroxyethyl)phenyl]amino}-5- (t...) Show SMILES CC(O)c1cccc(Nc2ncc(c(NCc3cccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)n1 Show InChI InChI=1S/C20H22F3N7O3S/c1-12(31)15-7-4-8-16(27-15)28-19-26-11-14(20(21,22)23)17(29-19)25-10-13-6-5-9-24-18(13)30(2)34(3,32)33/h4-9,11-12,31H,10H2,1-3H3,(H2,25,26,27,28,29)	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	<0.595	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))	BDBM418794 (3-({4-[({6-methyl-2- [methyl(methylsulfonyl)amino]...) Show SMILES CN(c1nc(C)ccc1CNc1nc(Nc2cccc(c2)C(N)=O)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C21H22F3N7O3S/c1-12-7-8-14(19(28-12)31(2)35(3,33)34)10-26-18-16(21(22,23)24)11-27-20(30-18)29-15-6-4-5-13(9-15)17(25)32/h4-9,11H,10H2,1-3H3,(H2,25,32)(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
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418793 (N-methyl-N-{3-[({2-[(5-morpholin-4- ylpyridin-2-yl...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc(cn2)N2CCOCC2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C22H25F3N8O3S/c1-32(37(2,34)35)20-15(4-3-7-26-20)12-28-19-17(22(23,24)25)14-29-21(31-19)30-18-6-5-16(13-27-18)33-8-10-36-11-9-33/h3-7,13-14H,8-12H2,1-2H3,(H2,27,28,29,30,31)	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	<0.595	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))	BDBM418791 (N-methyl-N-{3-[({2-[(4-morpholin-4- ylphenyl)amino...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C23H26F3N7O3S/c1-32(37(2,34)35)21-16(4-3-9-27-21)14-28-20-19(23(24,25)26)15-29-22(31-20)30-17-5-7-18(8-6-17)33-10-12-36-13-11-33/h3-9,15H,10-14H2,1-2H3,(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	<0.595	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))	BDBM418915 (N-methyl-N-[2-({[2-({4- [(methylamino)methyl]pheny...) Show SMILES CNCc1ccc(Nc2ncc(c(NCc3ccccc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H25F3N6O2S/c1-26-12-15-8-10-17(11-9-15)29-21-28-14-18(22(23,24)25)20(30-21)27-13-16-6-4-5-7-19(16)31(2)34(3,32)33/h4-11,14,26H,12-13H2,1-3H3,(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))	BDBM418914 (N-methyl-N-[3-({[2-({4- [(methylamino)methyl]pheny...) Show SMILES CNCc1ccc(Nc2ncc(c(NCc3cccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H24F3N7O2S/c1-25-11-14-6-8-16(9-7-14)29-20-28-13-17(21(22,23)24)18(30-20)27-12-15-5-4-10-26-19(15)31(2)34(3,32)33/h4-10,13,25H,11-12H2,1-3H3,(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))	BDBM418913 (N-{3-[({2-[(4-{[(2-hydroxy-2- methylpropyl)amino]m...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc(CNCC(C)(C)O)cc2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C24H30F3N7O3S/c1-23(2,35)15-28-12-16-7-9-18(10-8-16)32-22-31-14-19(24(25,26)27)20(33-22)30-13-17-6-5-11-29-21(17)34(3)38(4,36)37/h5-11,14,28,35H,12-13,15H2,1-4H3,(H2,30,31,32,33)	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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