Compile Data Set for Download or QSAR

Found 324 hits Enz. Inhib. hit(s) with all data for entry = 8387   

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
Protein-tyrosine kinase 2-beta (Homo sapiens (Human))	BDBM245693 (US9428508, 148) Show SMILES CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC3(CC3)c12 Show InChI InChI=1S/C28H35N7O4S/c1-3-12-30-40(36,37)23-7-5-4-6-21(23)31-26-24-25(29-18-28(24)10-11-28)33-27(34-26)32-20-9-8-19(17-22(20)38-2)35-13-15-39-16-14-35/h4-9,17,30H,3,10-16,18H2,1-2H3,(H3,29,31,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 2-beta (Homo sapiens (Human))	BDBM245695 (US9428508, 150) Show SMILES COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)NC2CCC2)n1)N1CCOCC1 Show InChI InChI=1S/C29H35N7O4S/c1-39-23-17-20(36-13-15-40-16-14-36)9-10-21(23)32-28-33-26-25(29(11-12-29)18-30-26)27(34-28)31-22-7-2-3-8-24(22)41(37,38)35-19-5-4-6-19/h2-3,7-10,17,19,35H,4-6,11-16,18H2,1H3,(H3,30,31,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 2-beta (Homo sapiens (Human))	BDBM245696 (US9428508, 151) Show SMILES COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2S(=O)(=O)N(C)C)n1)N1CCOCC1 Show InChI InChI=1S/C27H33N7O4S/c1-33(2)39(35,36)22-7-5-4-6-20(22)29-25-23-24(28-17-27(23)10-11-27)31-26(32-25)30-19-9-8-18(16-21(19)37-3)34-12-14-38-15-13-34/h4-9,16H,10-15,17H2,1-3H3,(H3,28,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 2-beta (Homo sapiens (Human))	BDBM245697 (US9428508, 152) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC3(CC3)c12 Show InChI InChI=1S/C27H31N7O3/c1-28-25(35)18-5-3-4-6-19(18)30-24-22-23(29-16-27(22)9-10-27)32-26(33-24)31-20-8-7-17(15-21(20)36-2)34-11-13-37-14-12-34/h3-8,15H,9-14,16H2,1-2H3,(H,28,35)(H3,29,30,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 2-beta (Homo sapiens (Human))	BDBM245701 (US9428508, 156) Show SMILES COc1cc(ccc1Nc1nc2NCC3(CC3)c2c(Nc2ccccc2N(C)S(C)(=O)=O)n1)N1CCOCC1 Show InChI InChI=1S/C27H33N7O4S/c1-33(39(3,35)36)21-7-5-4-6-19(21)29-25-23-24(28-17-27(23)10-11-27)31-26(32-25)30-20-9-8-18(16-22(20)37-2)34-12-14-38-15-13-34/h4-9,16H,10-15,17H2,1-3H3,(H3,28,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 2-beta (Homo sapiens (Human))	BDBM245702 (US9428508, 157) Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2NCC3(CC3)c12 Show InChI InChI=1S/C24H28N6O5S/c1-25-36(31,32)18-8-6-5-7-15(18)28-22-19-21(26-13-24(19)9-10-24)29-23(30-22)27-14-11-16(33-2)20(35-4)17(12-14)34-3/h5-8,11-12,25H,9-10,13H2,1-4H3,(H3,26,27,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245550 (US9428508, 4) Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCCc12 Show InChI InChI=1S/C24H29N7O4S/c1-25-36(32,33)21-6-4-3-5-19(21)27-23-17-9-10-26-22(17)29-24(30-23)28-18-8-7-16(15-20(18)34-2)31-11-13-35-14-12-31/h3-8,15,25H,9-14H2,1-2H3,(H3,26,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245551 (US9428508, 5) Show SMILES CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCCc12 Show InChI InChI=1S/C26H33N7O4S/c1-3-11-28-38(34,35)23-7-5-4-6-21(23)29-25-19-10-12-27-24(19)31-26(32-25)30-20-9-8-18(17-22(20)36-2)33-13-15-37-16-14-33/h4-9,17,28H,3,10-16H2,1-2H3,(H3,27,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245552 (US9428508, 6) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC2CCC2)n1)N1CCOCC1 Show InChI InChI=1S/C27H33N7O4S/c1-37-23-17-19(34-13-15-38-16-14-34)9-10-21(23)30-27-31-25-20(11-12-28-25)26(32-27)29-22-7-2-3-8-24(22)39(35,36)33-18-5-4-6-18/h2-3,7-10,17-18,33H,4-6,11-16H2,1H3,(H3,28,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245571 (US9428508, 26) Show SMILES CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)c12 Show InChI InChI=1S/C27H35N7O4S/c1-4-11-29-39(35,36)23-8-6-5-7-21(23)30-26-24-18(2)17-28-25(24)32-27(33-26)31-20-10-9-19(16-22(20)37-3)34-12-14-38-15-13-34/h5-10,16,18,29H,4,11-15,17H2,1-3H3,(H3,28,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245572 (US9428508, 27) Show SMILES COc1cc(ccc1Nc1nc2NCC(C)c2c(Nc2ccccc2S(=O)(=O)NC2CCC2)n1)N1CCOCC1 Show InChI InChI=1S/C28H35N7O4S/c1-18-17-29-26-25(18)27(30-22-8-3-4-9-24(22)40(36,37)34-19-6-5-7-19)33-28(32-26)31-21-11-10-20(16-23(21)38-2)35-12-14-39-15-13-35/h3-4,8-11,16,18-19,34H,5-7,12-15,17H2,1-2H3,(H3,29,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245577 (US9428508, 32) Show SMILES COc1cc(ccc1Nc1nc2NCC(C)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1)N1CCOCC1 Show InChI InChI=1S/C27H35N7O4S/c1-18-16-28-25-24(18)26(29-17-19-7-5-6-8-22(19)33(2)39(4,35)36)32-27(31-25)30-21-10-9-20(15-23(21)37-3)34-11-13-38-14-12-34/h5-10,15,18H,11-14,16-17H2,1-4H3,(H3,28,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245580 (US9428508, 35) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NC[C@@H](C)c12 |r| Show InChI InChI=1S/C26H31N7O3/c1-16-15-28-23-22(16)24(29-19-7-5-4-6-18(19)25(34)27-2)32-26(31-23)30-20-9-8-17(14-21(20)35-3)33-10-12-36-13-11-33/h4-9,14,16H,10-13,15H2,1-3H3,(H,27,34)(H3,28,29,30,31,32)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245581 (US9428508, 36) Show SMILES COc1cc(ccc1Nc1nc2NC[C@@H](C)c2c(Nc2ccccc2S(=O)(=O)NC2CCC2)n1)N1CCOCC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-18-17-29-26-25(18)27(30-22-8-3-4-9-24(22)40(36,37)34-19-6-5-7-19)33-28(32-26)31-21-11-10-20(16-23(21)38-2)35-12-14-39-15-13-35/h3-4,8-11,16,18-19,34H,5-7,12-15,17H2,1-2H3,(H3,29,30,31,32,33)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245582 (US9428508, 37) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCC(C)(C)c12 Show InChI InChI=1S/C27H33N7O3/c1-27(2)16-29-23-22(27)24(30-19-8-6-5-7-18(19)25(35)28-3)33-26(32-23)31-20-10-9-17(15-21(20)36-4)34-11-13-37-14-12-34/h5-10,15H,11-14,16H2,1-4H3,(H,28,35)(H3,29,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245585 (US9428508, 40 | US9428508, 46) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCOCC1 Show InChI InChI=1S/C26H33N7O4S/c1-17(2)32-38(34,35)23-7-5-4-6-21(23)28-25-19-10-11-27-24(19)30-26(31-25)29-20-9-8-18(16-22(20)36-3)33-12-14-37-15-13-33/h4-9,16-17,32H,10-15H2,1-3H3,(H3,27,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245587 (US9428508, 42) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC2CC2)n1)N1CCOCC1 Show InChI InChI=1S/C26H31N7O4S/c1-36-22-16-18(33-12-14-37-15-13-33)8-9-20(22)29-26-30-24-19(10-11-27-24)25(31-26)28-21-4-2-3-5-23(21)38(34,35)32-17-6-7-17/h2-5,8-9,16-17,32H,6-7,10-15H2,1H3,(H3,27,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245589 (US9428508, 44) Show SMILES CCC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2NCCc12 Show InChI InChI=1S/C27H35N7O4S/c1-4-18(2)33-39(35,36)24-8-6-5-7-22(24)29-26-20-11-12-28-25(20)31-27(32-26)30-21-10-9-19(17-23(21)37-3)34-13-15-38-16-14-34/h5-10,17-18,33H,4,11-16H2,1-3H3,(H3,28,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245585 (US9428508, 40 | US9428508, 46) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCOCC1 Show InChI InChI=1S/C26H33N7O4S/c1-17(2)32-38(34,35)23-7-5-4-6-21(23)28-25-19-10-11-27-24(19)30-26(31-25)29-20-9-8-18(16-22(20)36-3)33-12-14-37-15-13-33/h4-9,16-17,32H,10-15H2,1-3H3,(H3,27,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245597 (US9428508, 52) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2NCCc12 Show InChI InChI=1S/C25H31N7O3S/c1-17(2)31-36(33,34)22-6-4-3-5-21(22)28-24-20-11-12-26-23(20)29-25(30-24)27-18-7-9-19(10-8-18)32-13-15-35-16-14-32/h3-10,17,31H,11-16H2,1-2H3,(H3,26,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245598 (US9428508, 53) Show SMILES CNC(=O)c1ccc(Nc2nc3NCCc3c(Nc3ccccc3S(=O)(=O)NC(C)C)n2)cc1 Show InChI InChI=1S/C23H27N7O3S/c1-14(2)30-34(32,33)19-7-5-4-6-18(19)27-21-17-12-13-25-20(17)28-23(29-21)26-16-10-8-15(9-11-16)22(31)24-3/h4-11,14,30H,12-13H2,1-3H3,(H,24,31)(H3,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245599 (US9428508, 54) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CO)cc2)nc2NCCc12 Show InChI InChI=1S/C22H26N6O3S/c1-14(2)28-32(30,31)19-6-4-3-5-18(19)25-21-17-11-12-23-20(17)26-22(27-21)24-16-9-7-15(13-29)8-10-16/h3-10,14,28-29H,11-13H2,1-2H3,(H3,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245600 (US9428508, 55) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2F)N2CCOCC2)nc2NCCc12 Show InChI InChI=1S/C25H30FN7O3S/c1-16(2)32-37(34,35)22-6-4-3-5-21(22)28-24-18-9-10-27-23(18)30-25(31-24)29-20-8-7-17(15-19(20)26)33-11-13-36-14-12-33/h3-8,15-16,32H,9-14H2,1-2H3,(H3,27,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245601 (US9428508, 56) Show SMILES COc1nc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCOCC1 Show InChI InChI=1S/C25H32N8O4S/c1-16(2)32-38(34,35)20-7-5-4-6-18(20)27-23-17-10-11-26-22(17)30-25(31-23)28-19-8-9-21(29-24(19)36-3)33-12-14-37-15-13-33/h4-9,16,32H,10-15H2,1-3H3,(H3,26,27,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245602 (US9428508, 57) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(nc2)N2CCOCC2)nc2NCCc12 Show InChI InChI=1S/C24H30N8O3S/c1-16(2)31-36(33,34)20-6-4-3-5-19(20)28-23-18-9-10-25-22(18)29-24(30-23)27-17-7-8-21(26-15-17)32-11-13-35-14-12-32/h3-8,15-16,31H,9-14H2,1-2H3,(H3,25,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245603 (US9428508, 58) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cn2)N2CCOCC2)nc2NCCc12 Show InChI InChI=1S/C24H30N8O3S/c1-16(2)31-36(33,34)20-6-4-3-5-19(20)27-23-18-9-10-25-22(18)29-24(30-23)28-21-8-7-17(15-26-21)32-11-13-35-14-12-32/h3-8,15-16,31H,9-14H2,1-2H3,(H3,25,26,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245607 (US9428508, 62) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(=O)N(C)C)nc2NCCc12 Show InChI InChI=1S/C24H29N7O3S/c1-15(2)30-35(33,34)20-8-6-5-7-19(20)27-22-18-13-14-25-21(18)28-24(29-22)26-17-11-9-16(10-12-17)23(32)31(3)4/h5-12,15,30H,13-14H2,1-4H3,(H3,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245608 (US9428508, 63) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(C)=O)cc2)nc2NCCc12 Show InChI InChI=1S/C23H27N7O3S/c1-14(2)30-34(32,33)20-7-5-4-6-19(20)27-22-18-12-13-24-21(18)28-23(29-22)26-17-10-8-16(9-11-17)25-15(3)31/h4-11,14,30H,12-13H2,1-3H3,(H,25,31)(H3,24,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245609 (US9428508, 64) Show SMILES CNS(=O)(=O)c1ccc(Nc2nc3NCCc3c(Nc3ccccc3S(=O)(=O)NC(C)C)n2)cc1 Show InChI InChI=1S/C22H27N7O4S2/c1-14(2)29-35(32,33)19-7-5-4-6-18(19)26-21-17-12-13-24-20(17)27-22(28-21)25-15-8-10-16(11-9-15)34(30,31)23-3/h4-11,14,23,29H,12-13H2,1-3H3,(H3,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245610 (US9428508, 65) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)nc2NCCc12 Show InChI InChI=1S/C26H31N7O4S/c1-17(2)32-38(35,36)22-6-4-3-5-21(22)29-24-20-11-12-27-23(20)30-26(31-24)28-19-9-7-18(8-10-19)25(34)33-13-15-37-16-14-33/h3-10,17,32H,11-16H2,1-2H3,(H3,27,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245611 (US9428508, 66) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2C)N2CCOCC2)nc2NCCc12 Show InChI InChI=1S/C26H33N7O3S/c1-17(2)32-37(34,35)23-7-5-4-6-22(23)28-25-20-10-11-27-24(20)30-26(31-25)29-21-9-8-19(16-18(21)3)33-12-14-36-15-13-33/h4-9,16-17,32H,10-15H2,1-3H3,(H3,27,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245614 (US9428508, 69) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(C)O)nc2NCCc12 Show InChI InChI=1S/C23H28N6O3S/c1-14(2)29-33(31,32)20-7-5-4-6-19(20)26-22-18-12-13-24-21(18)27-23(28-22)25-17-10-8-16(9-11-17)15(3)30/h4-11,14-15,29-30H,12-13H2,1-3H3,(H3,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245615 (US9428508, 70) Show SMILES COc1cc(OCCN2CCOCC2)ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1 Show InChI InChI=1S/C28H37N7O5S/c1-19(2)34-41(36,37)25-7-5-4-6-23(25)30-27-21-10-11-29-26(21)32-28(33-27)31-22-9-8-20(18-24(22)38-3)40-17-14-35-12-15-39-16-13-35/h4-9,18-19,34H,10-17H2,1-3H3,(H3,29,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245617 (US9428508, 72) Show SMILES CC(C)NC(C)c1ccc(Nc2nc3NCCc3c(Nc3ccccc3S(=O)(=O)NC(C)C)n2)cc1 Show InChI InChI=1S/C26H35N7O2S/c1-16(2)28-18(5)19-10-12-20(13-11-19)29-26-31-24-21(14-15-27-24)25(32-26)30-22-8-6-7-9-23(22)36(34,35)33-17(3)4/h6-13,16-18,28,33H,14-15H2,1-5H3,(H3,27,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245618 (US9428508, 73) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NS(C)(=O)=O)c2)nc2NCCc12 Show InChI InChI=1S/C22H27N7O4S2/c1-14(2)28-35(32,33)19-10-5-4-9-18(19)25-21-17-11-12-23-20(17)26-22(27-21)24-15-7-6-8-16(13-15)29-34(3,30)31/h4-10,13-14,28-29H,11-12H2,1-3H3,(H3,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245619 (US9428508, 74) Show SMILES CNC(=O)c1cccc(Nc2nc3NCCc3c(Nc3ccccc3S(=O)(=O)NC(C)C)n2)c1 Show InChI InChI=1S/C23H27N7O3S/c1-14(2)30-34(32,33)19-10-5-4-9-18(19)27-21-17-11-12-25-20(17)28-23(29-21)26-16-8-6-7-15(13-16)22(31)24-3/h4-10,13-14,30H,11-12H2,1-3H3,(H,24,31)(H3,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245620 (US9428508, 75) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(C)=O)c2)nc2NCCc12 Show InChI InChI=1S/C23H27N7O3S/c1-14(2)30-34(32,33)20-10-5-4-9-19(20)27-22-18-11-12-24-21(18)28-23(29-22)26-17-8-6-7-16(13-17)25-15(3)31/h4-10,13-14,30H,11-12H2,1-3H3,(H,25,31)(H3,24,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245621 (US9428508, 76) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C29H40N8O3S/c1-19(2)35-41(38,39)26-9-7-6-8-24(26)31-28-22-12-15-30-27(22)33-29(34-28)32-23-11-10-21(18-25(23)40-5)37-16-13-20(14-17-37)36(3)4/h6-11,18-20,35H,12-17H2,1-5H3,(H3,30,31,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245623 (US9428508, 78) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(=O)N2CCCC2)nc2NCCc12 Show InChI InChI=1S/C26H31N7O3S/c1-17(2)32-37(35,36)22-8-4-3-7-21(22)29-24-20-13-14-27-23(20)30-26(31-24)28-19-11-9-18(10-12-19)25(34)33-15-5-6-16-33/h3-4,7-12,17,32H,5-6,13-16H2,1-2H3,(H3,27,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245624 (US9428508, 79) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(CO)CC1 Show InChI InChI=1S/C28H37N7O4S/c1-18(2)34-40(37,38)25-7-5-4-6-23(25)30-27-21-10-13-29-26(21)32-28(33-27)31-22-9-8-20(16-24(22)39-3)35-14-11-19(17-36)12-15-35/h4-9,16,18-19,34,36H,10-15,17H2,1-3H3,(H3,29,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245625 (US9428508, 80) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(O)C1 Show InChI InChI=1S/C26H33N7O4S/c1-16(2)32-38(35,36)23-7-5-4-6-21(23)28-25-19-10-12-27-24(19)30-26(31-25)29-20-9-8-17(14-22(20)37-3)33-13-11-18(34)15-33/h4-9,14,16,18,32,34H,10-13,15H2,1-3H3,(H3,27,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245626 (US9428508, 81) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCCC(O)C1 Show InChI InChI=1S/C27H35N7O4S/c1-17(2)33-39(36,37)24-9-5-4-8-22(24)29-26-20-12-13-28-25(20)31-27(32-26)30-21-11-10-18(15-23(21)38-3)34-14-6-7-19(35)16-34/h4-5,8-11,15,17,19,33,35H,6-7,12-14,16H2,1-3H3,(H3,28,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245627 (US9428508, 82) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(C)N2CCCCC2)nc2NCCc12 Show InChI InChI=1S/C28H37N7O2S/c1-19(2)34-38(36,37)25-10-6-5-9-24(25)31-27-23-15-16-29-26(23)32-28(33-27)30-22-13-11-21(12-14-22)20(3)35-17-7-4-8-18-35/h5-6,9-14,19-20,34H,4,7-8,15-18H2,1-3H3,(H3,29,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245628 (US9428508, 83) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)-n1ccccc1=O Show InChI InChI=1S/C27H29N7O4S/c1-17(2)33-39(36,37)23-9-5-4-8-21(23)29-26-19-13-14-28-25(19)31-27(32-26)30-20-12-11-18(16-22(20)38-3)34-15-7-6-10-24(34)35/h4-12,15-17,33H,13-14H2,1-3H3,(H3,28,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245630 (US9428508, 85) Show SMILES COc1cc(NCCN2CCOCC2)ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1 Show InChI InChI=1S/C28H38N8O4S/c1-19(2)35-41(37,38)25-7-5-4-6-23(25)31-27-21-10-11-30-26(21)33-28(34-27)32-22-9-8-20(18-24(22)39-3)29-12-13-36-14-16-40-17-15-36/h4-9,18-19,29,35H,10-17H2,1-3H3,(H3,30,31,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245631 (US9428508, 86) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(O)CC1 Show InChI InChI=1S/C27H35N7O4S/c1-17(2)33-39(36,37)24-7-5-4-6-22(24)29-26-20-10-13-28-25(20)31-27(32-26)30-21-9-8-18(16-23(21)38-3)34-14-11-19(35)12-15-34/h4-9,16-17,19,33,35H,10-15H2,1-3H3,(H3,28,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245632 (US9428508, 87) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C26H33N7O5S2/c1-17(2)32-40(36,37)23-7-5-4-6-21(23)28-25-19-10-11-27-24(19)30-26(31-25)29-20-9-8-18(16-22(20)38-3)33-12-14-39(34,35)15-13-33/h4-9,16-17,32H,10-15H2,1-3H3,(H3,27,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245634 (US9428508, 89) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(C1)N(C)C Show InChI InChI=1S/C28H38N8O3S/c1-18(2)34-40(37,38)25-9-7-6-8-23(25)30-27-21-12-14-29-26(21)32-28(33-27)31-22-11-10-19(16-24(22)39-5)36-15-13-20(17-36)35(3)4/h6-11,16,18,20,34H,12-15,17H2,1-5H3,(H3,29,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245635 (US9428508, 90) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)-n1cc(C)nc1C Show InChI InChI=1S/C27H32N8O3S/c1-16(2)34-39(36,37)24-9-7-6-8-22(24)30-26-20-12-13-28-25(20)32-27(33-26)31-21-11-10-19(14-23(21)38-5)35-15-17(3)29-18(35)4/h6-11,14-16,34H,12-13H2,1-5H3,(H3,28,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245637 (US9428508, 92) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C32H44N8O3S/c1-22(2)38-44(41,42)29-10-6-5-9-27(29)34-31-25-13-16-33-30(25)36-32(37-31)35-26-12-11-24(21-28(26)43-3)40-19-14-23(15-20-40)39-17-7-4-8-18-39/h5-6,9-12,21-23,38H,4,7-8,13-20H2,1-3H3,(H3,33,34,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 324 total )  |  Next  |  Last  >>

Jump to: