Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 2104   

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
Coagulation factor IX (Homo sapiens (Human))	BDBM352433 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-c1cncnc1 |TLB:5:11:17:14.15| Show InChI InChI=1S/C23H19Cl2N7O2/c24-15-5-11(13-6-27-10-28-7-13)1-3-14(15)23(33)30-19-12-2-4-17(19)32(9-12)22-20-18(16(25)8-29-22)21(26)31-34-20/h1,3,5-8,10,12,17,19H,2,4,9H2,(H2,26,31)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352434 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES COc1ncc(cn1)-c1ccc(C(=O)NC2C3CCC2N(C3)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 Show InChI InChI=1S/C24H21Cl2N7O3/c1-35-24-29-7-13(8-30-24)11-2-4-14(15(25)6-11)23(34)31-19-12-3-5-17(19)33(10-12)22-20-18(16(26)9-28-22)21(27)32-36-20/h2,4,6-9,12,17,19H,3,5,10H2,1H3,(H2,27,32)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352435 (N-((1S*,4S*,7R*)-2-(3-Amino-5-methylisoxazolo[5,4-...) Show SMILES Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2N(C3)c2nc(C)cc3c(N)noc23)c(Cl)c1 |TLB:20:18:16.15:13| Show InChI InChI=1S/C23H23ClN8O2/c1-11-7-16-20(34-30-21(16)25)22(27-11)31-9-13-3-6-18(31)19(13)28-23(33)15-5-4-14(8-17(15)24)32-10-26-12(2)29-32/h4-5,7-8,10,13,18-19H,3,6,9H2,1-2H3,(H2,25,30)(H,28,33)/t13-,18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352437 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-c1ccnnc1 Show InChI InChI=1S/C23H19Cl2N7O2/c24-15-7-11(12-5-6-28-29-8-12)1-3-14(15)23(33)30-19-13-2-4-17(19)32(10-13)22-20-18(16(25)9-27-22)21(26)31-34-20/h1,3,5-9,13,17,19H,2,4,10H2,(H2,26,31)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352438 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1)-n1cnnc1 Show InChI InChI=1S/C21H19ClN8O2/c22-14-7-24-20(18-16(14)19(23)28-32-18)30-8-12-3-6-15(30)17(12)27-21(31)11-1-4-13(5-2-11)29-9-25-26-10-29/h1-2,4-5,7,9-10,12,15,17H,3,6,8H2,(H2,23,28)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352439 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-n1cnc(CCO)c1 Show InChI InChI=1S/C24H23Cl2N7O3/c25-16-7-14(32-10-13(5-6-34)29-11-32)2-3-15(16)24(35)30-20-12-1-4-18(20)33(9-12)23-21-19(17(26)8-28-23)22(27)31-36-21/h2-3,7-8,10-12,18,20,34H,1,4-6,9H2,(H2,27,31)(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352440 (N-((1S*,4S*,7R*)-2-(3-Amino-5-methylisoxazolo[5,4-...) Show SMILES Cc1cc2c(N)noc2c(n1)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-n1cc(CCO)nn1 Show InChI InChI=1S/C24H25ClN8O3/c1-12-8-17-21(36-30-22(17)26)23(27-12)32-10-13-2-5-19(32)20(13)28-24(35)16-4-3-15(9-18(16)25)33-11-14(6-7-34)29-31-33/h3-4,8-9,11,13,19-20,34H,2,5-7,10H2,1H3,(H2,26,30)(H,28,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352441 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-n1cnnc1C(F)F Show InChI InChI=1S/C22H18Cl2F2N8O2/c23-12-5-10(34-8-29-31-21(34)18(25)26)2-3-11(12)22(35)30-16-9-1-4-14(16)33(7-9)20-17-15(13(24)6-28-20)19(27)32-36-17/h2-3,5-6,8-9,14,16,18H,1,4,7H2,(H2,27,32)(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352442 (N-((1S*,4S*,7R*)-2-(3-Amino-5-methylisoxazolo[5,4-...) Show SMILES Cc1cc2c(N)noc2c(n1)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-c1cnc(nc1)C#N Show InChI InChI=1S/C25H21ClN8O2/c1-12-6-17-22(36-33-23(17)28)24(31-12)34-11-14-3-5-19(34)21(14)32-25(35)16-4-2-13(7-18(16)26)15-9-29-20(8-27)30-10-15/h2,4,6-7,9-10,14,19,21H,3,5,11H2,1H3,(H2,28,33)(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352443 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Cn1cc(ccc1=O)-c1ccc(C(=O)NC2C3CCC2N(C3)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 Show InChI InChI=1S/C25H22Cl2N6O3/c1-32-10-13(4-7-19(32)34)12-2-5-15(16(26)8-12)25(35)30-21-14-3-6-18(21)33(11-14)24-22-20(17(27)9-29-24)23(28)31-36-22/h2,4-5,7-10,14,18,21H,3,6,11H2,1H3,(H2,28,31)(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352444 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-c1ccc(=O)n(c1)C(F)F Show InChI InChI=1S/C25H20Cl2F2N6O3/c26-15-7-11(12-3-6-18(36)35(9-12)25(28)29)1-4-14(15)24(37)32-20-13-2-5-17(20)34(10-13)23-21-19(16(27)8-31-23)22(30)33-38-21/h1,3-4,6-9,13,17,20,25H,2,5,10H2,(H2,30,33)(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352445 (4-([1,2,4]Triazolo[4,3-a]pyridin-6-yl)-N-((1S*,4S*...) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-c1ccc2nncn2c1 Show InChI InChI=1S/C25H20Cl2N8O2/c26-16-7-12(13-3-6-19-32-30-11-34(19)9-13)1-4-15(16)25(36)31-21-14-2-5-18(21)35(10-14)24-22-20(17(27)8-29-24)23(28)33-37-22/h1,3-4,6-9,11,14,18,21H,2,5,10H2,(H2,28,33)(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352446 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-n1cnc2ccccc12 Show InChI InChI=1S/C26H21Cl2N7O2/c27-16-9-14(35-12-31-18-3-1-2-4-19(18)35)6-7-15(16)26(36)32-22-13-5-8-20(22)34(11-13)25-23-21(17(28)10-30-25)24(29)33-37-23/h1-4,6-7,9-10,12-13,20,22H,5,8,11H2,(H2,29,33)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352447 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-n1cnc2ncccc12 Show InChI InChI=1S/C25H20Cl2N8O2/c26-15-8-13(35-11-31-23-18(35)2-1-7-29-23)4-5-14(15)25(36)32-20-12-3-6-17(20)34(10-12)24-21-19(16(27)9-30-24)22(28)33-37-21/h1-2,4-5,7-9,11-12,17,20H,3,6,10H2,(H2,28,33)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352448 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-c1ccc(=O)n(CCO)c1 Show InChI InChI=1S/C26H24Cl2N6O4/c27-17-9-13(14-3-6-20(36)33(11-14)7-8-35)1-4-16(17)26(37)31-22-15-2-5-19(22)34(12-15)25-23-21(18(28)10-30-25)24(29)32-38-23/h1,3-4,6,9-11,15,19,22,35H,2,5,7-8,12H2,(H2,29,32)(H,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352449 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Cn1nc(ccc1=O)-c1ccc(C(=O)NC2C3CCC2N(C3)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 Show InChI InChI=1S/C24H21Cl2N7O3/c1-32-18(34)7-5-16(30-32)11-2-4-13(14(25)8-11)24(35)29-20-12-3-6-17(20)33(10-12)23-21-19(15(26)9-28-23)22(27)31-36-21/h2,4-5,7-9,12,17,20H,3,6,10H2,1H3,(H2,27,31)(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352450 (N-((1S*,4S*,7R*)-2-(3-Amino-5-cyanoisoxazolo[5,4-c...) Show SMILES Cn1cc(ccc1=O)-c1ccc(C(=O)NC2C3CCC2N(C3)c2nc(cc3c(N)noc23)C#N)c(Cl)c1 Show InChI InChI=1S/C26H22ClN7O3/c1-33-11-14(4-7-21(33)35)13-2-5-17(19(27)8-13)26(36)31-22-15-3-6-20(22)34(12-15)25-23-18(24(29)32-37-23)9-16(10-28)30-25/h2,4-5,7-9,11,15,20,22H,3,6,12H2,1H3,(H2,29,32)(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352451 (N-((1S*,4S*,7R*)-2-(3-Amino-5-methylisoxazolo[5,4-...) Show SMILES Cc1cc2c(N)noc2c(n1)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-n1cnnc1C(F)(F)F Show InChI InChI=1S/C23H20ClF3N8O2/c1-10-6-14-18(37-33-19(14)28)20(30-10)34-8-11-2-5-16(34)17(11)31-21(36)13-4-3-12(7-15(13)24)35-9-29-32-22(35)23(25,26)27/h3-4,6-7,9,11,16-17H,2,5,8H2,1H3,(H2,28,33)(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352452 (N-((1S*,4S*,7R*)-2-(3-Amino-5-methylisoxazolo[5,4-...) Show SMILES Cc1cc2c(N)noc2c(n1)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-c1cnc(=O)n(C)c1 Show InChI InChI=1S/C25H24ClN7O3/c1-12-7-17-21(36-31-22(17)27)23(29-12)33-11-14-4-6-19(33)20(14)30-24(34)16-5-3-13(8-18(16)26)15-9-28-25(35)32(2)10-15/h3,5,7-10,14,19-20H,4,6,11H2,1-2H3,(H2,27,31)(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352453 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Cn1ncn(-c2ccc(C(=O)NC3C4CCC3N(C4)c3ncc(Cl)c4c(N)noc34)c(Cl)c2)c1=O Show InChI InChI=1S/C22H20Cl2N8O3/c1-30-22(34)32(9-27-30)11-3-4-12(13(23)6-11)21(33)28-17-10-2-5-15(17)31(8-10)20-18-16(14(24)7-26-20)19(25)29-35-18/h3-4,6-7,9-10,15,17H,2,5,8H2,1H3,(H2,25,29)(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352454 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Cc1ncn(n1)-c1cnc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2N(C3)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 |TLB:20:18:16.15:13| Show InChI InChI=1S/C21H19Cl2N9O2/c1-9-27-8-32(29-9)11-4-12(22)17(25-5-11)21(33)28-16-10-2-3-14(16)31(7-10)20-18-15(13(23)6-26-20)19(24)30-34-18/h4-6,8,10,14,16H,2-3,7H2,1H3,(H2,24,30)(H,28,33)/t10-,14-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352422 (N-((1S*,4S*, 7R*)-2-(3-Aminobenzo[d]isoxazol-7-yl)...) Show SMILES Nc1noc2c(cccc12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-n1cnnc1 Show InChI InChI=1S/C22H20ClN7O2/c23-16-8-13(29-10-25-26-11-29)5-6-14(16)22(31)27-19-12-4-7-17(19)30(9-12)18-3-1-2-15-20(18)32-28-21(15)24/h1-3,5-6,8,10-12,17,19H,4,7,9H2,(H2,24,28)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352423 (N-((1S*,4S*,7R*)-2-(3-Aminoisoxazolo[5,4-c]pyridin...) Show SMILES Cc1ncn(n1)-c1ccc(C(=O)NC2C3CCC2N(C3)c2nccc3c(N)noc23)c(Cl)c1 Show InChI InChI=1S/C22H21ClN8O2/c1-11-26-10-31(28-11)13-3-4-14(16(23)8-13)22(32)27-18-12-2-5-17(18)30(9-12)21-19-15(6-7-25-21)20(24)29-33-19/h3-4,6-8,10,12,17-18H,2,5,9H2,1H3,(H2,24,29)(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352424 (N-((1S*,4S*,7R*)-2-(3-Amino-5-methylbenzo[d]isoxaz...) Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC2C3CCC2N(C3)c2cc(C)cc3c(N)noc23)c(Cl)c1 Show InChI InChI=1S/C24H23Cl2N7O2/c1-11-5-15-22(35-31-23(15)27)19(6-11)32-9-13-3-4-18(32)21(13)29-24(34)20-16(25)7-14(8-17(20)26)33-10-28-12(2)30-33/h5-8,10,13,18,21H,3-4,9H2,1-2H3,(H2,27,31)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352425 (N-((1S*,4S*,7R*)-2-(3-Amino-5-chlorobenzo[d]isoxaz...) Show SMILES Cc1ncn(n1)-c1ccc(C(=O)NC2C3CCC2N(C3)c2cc(Cl)cc3c(N)noc23)c(Cl)c1 Show InChI InChI=1S/C23H21Cl2N7O2/c1-11-27-10-32(29-11)14-3-4-15(17(25)8-14)23(33)28-20-12-2-5-18(20)31(9-12)19-7-13(24)6-16-21(19)34-30-22(16)26/h3-4,6-8,10,12,18,20H,2,5,9H2,1H3,(H2,26,30)(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352427 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chlorobenzo[d]isoxaz...) Show SMILES Nc1noc2c(ccc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-n1cnnc1 Show InChI InChI=1S/C22H19Cl2N7O2/c23-14-4-6-17(20-18(14)21(25)29-33-20)31-8-11-1-5-16(31)19(11)28-22(32)13-3-2-12(7-15(13)24)30-9-26-27-10-30/h2-4,6-7,9-11,16,19H,1,5,8H2,(H2,25,29)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352428 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-n1cnnc1 Show InChI InChI=1S/C21H18Cl2N8O2/c22-13-5-11(30-8-26-27-9-30)2-3-12(13)21(32)28-17-10-1-4-15(17)31(7-10)20-18-16(14(23)6-25-20)19(24)29-33-18/h2-3,5-6,8-10,15,17H,1,4,7H2,(H2,24,29)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352429 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2N(C3)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 |TLB:20:18:16.15:13| Show InChI InChI=1S/C22H20Cl2N8O2/c1-10-27-9-32(29-10)12-3-4-13(14(23)6-12)22(33)28-18-11-2-5-16(18)31(8-11)21-19-17(15(24)7-26-21)20(25)30-34-19/h3-4,6-7,9,11,16,18H,2,5,8H2,1H3,(H2,25,30)(H,28,33)/t11-,16-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor IX (Homo sapiens (Human))	BDBM352431 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-n1cncn1 |TLB:5:11:17:14.15| Show InChI InChI=1S/C21H18Cl2N8O2/c22-13-5-11(31-9-25-8-27-31)2-3-12(13)21(32)28-17-10-1-4-15(17)30(7-10)20-18-16(14(23)6-26-20)19(24)29-33-18/h2-3,5-6,8-10,15,17H,1,4,7H2,(H2,24,29)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352432 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Nc1noc2c(ncc(Cl)c12)N1C[C@@H]2CC[C@H]1[C@@H]2NC(=O)c1ccc(cc1Cl)-n1cncn1 |THB:5:11:15.14:17| Show InChI InChI=1S/C21H18Cl2N8O2/c22-13-5-11(31-9-25-8-27-31)2-3-12(13)21(32)28-17-10-1-4-15(17)30(7-10)20-18-16(14(23)6-26-20)19(24)29-33-18/h2-3,5-6,8-10,15,17H,1,4,7H2,(H2,24,29)(H,28,32)/t10-,15-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM352429 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2N(C3)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 |TLB:20:18:16.15:13| Show InChI InChI=1S/C22H20Cl2N8O2/c1-10-27-9-32(29-10)12-3-4-13(14(23)6-12)22(33)28-18-11-2-5-16(18)31(8-11)21-19-17(15(24)7-26-21)20(25)30-34-19/h3-4,6-7,9,11,16,18H,2,5,8H2,1H3,(H2,25,30)(H,28,33)/t11-,16-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor IX (Homo sapiens (Human))	BDBM352435 (N-((1S*,4S*,7R*)-2-(3-Amino-5-methylisoxazolo[5,4-...) Show SMILES Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2N(C3)c2nc(C)cc3c(N)noc23)c(Cl)c1 |TLB:20:18:16.15:13| Show InChI InChI=1S/C23H23ClN8O2/c1-11-7-16-20(34-30-21(16)25)22(27-11)31-9-13-3-6-18(31)19(13)28-23(33)15-5-4-14(8-17(15)24)32-10-26-12(2)29-32/h4-5,7-8,10,13,18-19H,3,6,9H2,1-2H3,(H2,25,30)(H,28,33)/t13-,18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair