Compile Data Set for Download or QSAR

Found 443 hits Enz. Inhib. hit(s) with all data for entry = 8326   

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))	BDBM241371 (US9409908, 3 | US9951071, Example 3) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#N)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C32H29ClFN5O4/c1-18-4-3-5-27(39-13-11-20(15-28(39)40)29-21(17-35)6-9-24(33)30(29)34)26-14-19(10-12-36-26)23-8-7-22(37-32(42)43-2)16-25(23)38-31(18)41/h6-10,12,14-16,18,27H,3-5,11,13H2,1-2H3,(H,37,42)(H,38,41)/t18-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241399 (US9409908, 31 | US9951071, Example 31) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3OC(F)F)c3ccnc-2c3)c1 |r,c:22| Show InChI InChI=1S/C32H30ClF3N4O5/c1-17-4-3-5-25(40-13-11-19(15-27(40)41)28-26(45-31(35)36)9-8-22(33)29(28)34)18-10-12-37-23(14-18)21-7-6-20(38-32(43)44-2)16-24(21)39-30(17)42/h6-10,12,14-17,25,31H,3-5,11,13H2,1-2H3,(H,38,43)(H,39,42)/t17-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241567 (US9409908, 199 | US9951071, Example 199) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc3c(O)cc(=O)[nH]c3cc2NC1=O |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241566 (US9409908, 198 | US9951071, Example 198) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc(C(O)=O)c(N)cc2NC1=O |r,c:9| Show InChI InChI=1S/C30H27ClF2N4O4/c1-15-3-2-4-25(37-10-8-17(12-26(37)38)27-21(32)6-5-20(31)28(27)33)24-11-16(7-9-35-24)18-13-19(30(40)41)22(34)14-23(18)36-29(15)39/h5-7,9,11-15,25H,2-4,8,10,34H2,1H3,(H,36,39)(H,40,41)/t15-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241552 (US9409908, 184 | US9951071, Example 184) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2cc(F)ccc2NC1=O |r,c:9| Show InChI InChI=1S/C30H26ClF2N7O2/c1-17-3-2-4-25(24-13-18(9-11-34-24)21-15-20(32)5-7-23(21)36-30(17)42)39-12-10-19(14-27(39)41)28-26(40-16-35-37-38-40)8-6-22(31)29(28)33/h5-9,11,13-17,25H,2-4,10,12H2,1H3,(H,36,42)/t17-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241436 (US9409908, 68 | US9951071, Example 68) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O |r,c:9| Show InChI InChI=1S/C30H27ClFN7O2/c1-18-5-4-8-25(24-15-19(11-13-33-24)21-6-2-3-7-23(21)35-30(18)41)38-14-12-20(16-27(38)40)28-26(39-17-34-36-37-39)10-9-22(31)29(28)32/h2-3,6-7,9-11,13,15-18,25H,4-5,8,12,14H2,1H3,(H,35,41)/t18-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241503 (US9409908, 135 | US9951071, Example 135) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CCC(=CC1=O)c1c(F)ccc(Cl)c1F |r,c:32| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241451 (US9409908, 83 | US9951071, Example 83) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc3c(C(O)=O)c(C)[nH]c3cc2NC1=O |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241400 (US9409908, 32 | US9951071, Example 32) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3OC(F)F)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C32H30ClF3N4O5/c1-17-4-3-5-25(40-13-11-19(15-27(40)41)28-26(45-31(35)36)9-8-22(33)29(28)34)24-14-18(10-12-37-24)21-7-6-20(38-32(43)44-2)16-23(21)39-30(17)42/h6-10,12,14-17,25,31H,3-5,11,13H2,1-2H3,(H,38,43)(H,39,42)/t17-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241583 (US9409908, 215 | US9951071, Example 215) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2cc(F)c(F)cc2NC1=O |r,c:9| Show InChI InChI=1S/C30H25ClF3N7O2/c1-16-3-2-4-25(24-11-17(7-9-35-24)19-13-21(32)22(33)14-23(19)37-30(16)43)40-10-8-18(12-27(40)42)28-26(41-15-36-38-39-41)6-5-20(31)29(28)34/h5-7,9,11-16,25H,2-4,8,10H2,1H3,(H,37,43)/t16-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241421 (US9409908, 53 | US9951071, Example 53) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(NC(=O)OCCOC(C)(C)C)cc2NC1=O |r,c:9| Show InChI InChI=1S/C36H39ClF2N4O5/c1-21-6-5-7-30(43-15-13-23(19-31(43)44)32-27(38)11-10-26(37)33(32)39)29-18-22(12-14-40-29)25-9-8-24(20-28(25)42-34(21)45)41-35(46)47-16-17-48-36(2,3)4/h8-12,14,18-21,30H,5-7,13,15-17H2,1-4H3,(H,41,46)(H,42,45)/t21-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241422 (US9409908, 54 | US9951071, Example 54) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(NC(=O)OCCO)cc2NC1=O |r,c:9| Show InChI InChI=1S/C32H31ClF2N4O5/c1-18-3-2-4-27(39-12-10-20(16-28(39)41)29-24(34)8-7-23(33)30(29)35)26-15-19(9-11-36-26)22-6-5-21(17-25(22)38-31(18)42)37-32(43)44-14-13-40/h5-9,11,15-18,27,40H,2-4,10,12-14H2,1H3,(H,37,43)(H,38,42)/t18-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241404 (US9409908, 36 | US9951071, Example 36) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3cc(Cl)ccc3C(F)(F)F)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C32H30ClF3N4O4/c1-18-4-3-5-28(40-13-11-20(15-29(40)41)24-16-21(33)6-9-25(24)32(34,35)36)27-14-19(10-12-37-27)23-8-7-22(38-31(43)44-2)17-26(23)39-30(18)42/h6-10,12,14-18,28H,3-5,11,13H2,1-2H3,(H,38,43)(H,39,42)/t18-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241394 (US9409908, 26 | US9951071, Example 26) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#N)c3cc-2cc(OC)n3)c1 |r,c:22| Show InChI InChI=1S/C33H31ClFN5O5/c1-18-5-4-6-27(40-12-11-19(15-29(40)41)30-20(17-36)7-10-24(34)31(30)35)26-13-21(14-28(38-26)44-2)23-9-8-22(37-33(43)45-3)16-25(23)39-32(18)42/h7-10,13-16,18,27H,4-6,11-12H2,1-3H3,(H,37,43)(H,39,42)/t18-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241468 (US9409908, 100 | US9951071, Example 100) Show SMILES CC(C)[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O |r,c:11| Show InChI InChI=1S/C32H31ClFN7O2/c1-19(2)22-7-5-9-27(26-16-20(12-14-35-26)23-6-3-4-8-25(23)37-32(22)43)40-15-13-21(17-29(40)42)30-28(41-18-36-38-39-41)11-10-24(33)31(30)34/h3-4,6,8,10-12,14,16-19,22,27H,5,7,9,13,15H2,1-2H3,(H,37,43)/t22-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241472 (US9409908, 104 | US9951071, Example 104) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(C)ccc3C#N)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C33H32FN5O4/c1-19-7-8-23(18-35)30(31(19)34)22-12-14-39(29(40)16-22)28-6-4-5-20(2)32(41)38-26-17-24(37-33(42)43-3)9-10-25(26)21-11-13-36-27(28)15-21/h7-11,13,15-17,20,28H,4-6,12,14H2,1-3H3,(H,37,42)(H,38,41)/t20-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241549 (US9409908, 181 | US9951071, Example 181) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#C)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C33H30ClFN4O4/c1-4-20-8-11-25(34)31(35)30(20)22-13-15-39(29(40)17-22)28-7-5-6-19(2)32(41)38-26-18-23(37-33(42)43-3)9-10-24(26)21-12-14-36-27(28)16-21/h1,8-12,14,16-19,28H,5-7,13,15H2,2-3H3,(H,37,42)(H,38,41)/t19-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241393 (US9409908, 25 | US9951071, Example 25) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C(F)(F)F)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C32H29ClF4N4O4/c1-17-4-3-5-26(41-13-11-19(15-27(41)42)28-22(32(35,36)37)8-9-23(33)29(28)34)25-14-18(10-12-38-25)21-7-6-20(39-31(44)45-2)16-24(21)40-30(17)43/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,39,44)(H,40,43)/t17-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241550 (US9409908, 182 | US9951071, Example 182) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3-c3c[nH]nn3)c3cc-2ccn3)c1 |r,c:22| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.110	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241412 (US9409908, 44 | US9951071, Example 44) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3cc(Cl)ccc3OC(F)F)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C32H31ClF2N4O5/c1-18-4-3-5-27(39-13-11-20(15-29(39)40)24-16-21(33)6-9-28(24)44-31(34)35)26-14-19(10-12-36-26)23-8-7-22(37-32(42)43-2)17-25(23)38-30(18)41/h6-10,12,14-18,27,31H,3-5,11,13H2,1-2H3,(H,37,42)(H,38,41)/t18-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241470 (US9409908, 102 | US9951071, Example 102) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#N)c3ccnc-2c3)c1 |r,c:22| Show InChI InChI=1S/C32H29ClFN5O4/c1-18-4-3-5-27(39-13-11-20(15-28(39)40)29-21(17-35)6-9-24(33)30(29)34)19-10-12-36-25(14-19)23-8-7-22(37-32(42)43-2)16-26(23)38-31(18)41/h6-10,12,14-16,18,27H,3-5,11,13H2,1-2H3,(H,37,42)(H,38,41)/t18-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.150	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241539 (US9409908, 171 | US9951071, Example 171) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C(C)=O)c3cccc-2c3)c1 |r,c:22| Show InChI InChI=1S/C34H33ClFN3O5/c1-19-6-4-9-29(39-15-14-23(17-30(39)41)31-25(20(2)40)12-13-27(35)32(31)36)22-8-5-7-21(16-22)26-11-10-24(37-34(43)44-3)18-28(26)38-33(19)42/h5,7-8,10-13,16-19,29H,4,6,9,14-15H2,1-3H3,(H,37,43)(H,38,42)/t19-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.170	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241548 (US9409908, 180) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)C(F)CC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,w:16.15,c:23| Show InChI InChI=1S/C31H28ClF3N4O4/c1-16-22(33)7-8-26(39-12-10-18(14-27(39)40)28-23(34)6-5-21(32)29(28)35)25-13-17(9-11-36-25)20-4-3-19(37-31(42)43-2)15-24(20)38-30(16)41/h3-6,9,11,13-16,22,26H,7-8,10,12H2,1-2H3,(H,37,42)(H,38,41)/t16-,22?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.180	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241528 (US9409908, 160 | US9951071, Example 160) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CCC(=CC1=O)c1c(F)ccc(Cl)c1F |r,c:32| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241398 (US9409908, 30 | US9951071, Example 30) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#N)c3cc-2cc(=O)[nH]3)c1 |r,c:22| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.210	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241370 (US9409908, 2 | US9951071, Example 2) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(C)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C32H32ClFN4O4/c1-18-7-10-24(33)30(34)29(18)21-12-14-38(28(39)16-21)27-6-4-5-19(2)31(40)37-25-17-22(36-32(41)42-3)8-9-23(25)20-11-13-35-26(27)15-20/h7-11,13,15-17,19,27H,4-6,12,14H2,1-3H3,(H,36,41)(H,37,40)/t19-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.230	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241559 (US9409908, 191 | US9951071, Example 191) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C(C)=O)c3cc(F)cc-2c3)c1 |r,c:22| Show InChI InChI=1S/C34H32ClF2N3O5/c1-18-5-4-6-29(40-12-11-20(16-30(40)42)31-25(19(2)41)9-10-27(35)32(31)37)22-13-21(14-23(36)15-22)26-8-7-24(38-34(44)45-3)17-28(26)39-33(18)43/h7-10,13-18,29H,4-6,11-12H2,1-3H3,(H,38,44)(H,39,43)/t18-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.230	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241558 (US9409908, 190 | US9951071, Example 190) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Br)c3F)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C31H29BrF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.270	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241449 (US9409908, 81 | US9951071, Example 81) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc3ccc(=O)[nH]c3cc2NC1=O |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.310	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241411 (US9409908, 43 | US9951071, Example 43) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(Br)ccc(C)c3F)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C32H32BrFN4O4/c1-18-7-10-24(33)29(30(18)34)21-12-14-38(28(39)16-21)27-6-4-5-19(2)31(40)37-25-17-22(36-32(41)42-3)8-9-23(25)20-11-13-35-26(27)15-20/h7-11,13,15-17,19,27H,4-6,12,14H2,1-3H3,(H,36,41)(H,37,40)/t19-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.380	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241541 (US9409908, 173 | US9951071, Example 173) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#N)c3cccc-2c3)c1 |r,c:22| Show InChI InChI=1S/C33H30ClFN4O4/c1-19-5-3-8-28(39-14-13-22(16-29(39)40)30-23(18-36)9-12-26(34)31(30)35)21-7-4-6-20(15-21)25-11-10-24(37-33(42)43-2)17-27(25)38-32(19)41/h4,6-7,9-12,15-17,19,28H,3,5,8,13-14H2,1-2H3,(H,37,42)(H,38,41)/t19-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.420	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241555 (US9409908, 187 | US9951071, Example 187) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2C(F)(F)F)c2cc(ccn2)-c2cc(ccc2NC1=O)C(O)=O |r,c:9| Show InChI InChI=1S/C31H26ClF4N3O4/c1-16-3-2-4-25(24-14-17(9-11-37-24)20-13-19(30(42)43)5-8-23(20)38-29(16)41)39-12-10-18(15-26(39)40)27-21(31(34,35)36)6-7-22(32)28(27)33/h5-9,11,13-16,25H,2-4,10,12H2,1H3,(H,38,41)(H,42,43)/t16-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.440	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241410 (US9409908, 42 | US9951071, Example 42) Show SMILES CCOC(=O)Cc1nnc(Nc2ccc-3c(NC(=O)[C@H](C)CCC[C@H](N4CCC(=CC4=O)c4c(F)ccc(Cl)c4F)c4cc-3ccn4)c2)o1 |r,c:28| Show InChI InChI=1S/C35H33ClF2N6O5/c1-3-48-31(46)18-29-42-43-35(49-29)40-22-7-8-23-20-11-13-39-27(15-20)28(6-4-5-19(2)34(47)41-26(23)17-22)44-14-12-21(16-30(44)45)32-25(37)10-9-24(36)33(32)38/h7-11,13,15-17,19,28H,3-6,12,14,18H2,1-2H3,(H,40,43)(H,41,47)/t19-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.450	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241389 (US9409908, 21 | US9951071, Example 21) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(Nc3nnc(C)o3)cc2NC1=O |r,c:9| Show InChI InChI=1S/C32H29ClF2N6O3/c1-17-4-3-5-27(41-13-11-20(15-28(41)42)29-24(34)9-8-23(33)30(29)35)26-14-19(10-12-36-26)22-7-6-21(16-25(22)38-31(17)43)37-32-40-39-18(2)44-32/h6-10,12,14-17,27H,3-5,11,13H2,1-2H3,(H,37,40)(H,38,43)/t17-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.460	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241563 (US9409908, 195 | US9951071, Example 195) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(Nc3cccnc3)cc2NC1=O |r,c:9| Show InChI InChI=1S/C34H30ClF2N5O2/c1-20-4-2-6-30(42-15-12-22(17-31(42)43)32-27(36)10-9-26(35)33(32)37)29-16-21(11-14-39-29)25-8-7-23(18-28(25)41-34(20)44)40-24-5-3-13-38-19-24/h3,5,7-11,13-14,16-20,30,40H,2,4,6,12,15H2,1H3,(H,41,44)/t20-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.470	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241447 (US9409908, 79 | US9951071, Example 79) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@@H](c3cc-2ccn3)n2ncc(cc2=O)-c2c(F)c(Cl)ccc2C#N)c1 |r| Show InChI InChI=1S/C31H26ClFN6O4/c1-17-4-3-5-26(39-27(40)13-20(16-36-39)28-19(15-34)6-9-23(32)29(28)33)25-12-18(10-11-35-25)22-8-7-21(37-31(42)43-2)14-24(22)38-30(17)41/h6-14,16-17,26H,3-5H2,1-2H3,(H,37,42)(H,38,41)/t17-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.550	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241460 (US9409908, 92 | US9951071, Example 92) Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(Nc3ncccn3)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F |r| Show InChI InChI=1S/C33H27ClF2N6O2/c1-19-4-2-5-28(42-15-11-21(17-29(42)43)30-25(35)9-8-24(34)31(30)36)27-16-20(10-14-37-27)23-7-6-22(18-26(23)41-32(19)44)40-33-38-12-3-13-39-33/h3,6-19,28H,2,4-5H2,1H3,(H,41,44)(H,38,39,40)/t19-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.560	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241459 (US9409908, 91 | US9951071, Example 91) Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(N)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F |r| Show InChI InChI=1S/C29H25ClF2N4O2/c1-16-3-2-4-25(36-12-10-18(14-26(36)37)27-22(31)8-7-21(30)28(27)32)24-13-17(9-11-34-24)20-6-5-19(33)15-23(20)35-29(16)38/h5-16,25H,2-4,33H2,1H3,(H,35,38)/t16-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.560	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM241503 (US9409908, 135 | US9951071, Example 135) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CCC(=CC1=O)c1c(F)ccc(Cl)c1F |r,c:32| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.560	-54.9	n/a	n/a	n/a	n/a	n/a	n/a	37
Bristol-Myers Squibb Company US Patent					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241529 (US9409908, 161 | US9951071, Example 161) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3Br)c3cccc-2c3)c1 |r,c:22| Show InChI InChI=1S/C32H30BrClFN3O4/c1-18-5-3-8-27(38-14-13-21(16-28(38)39)29-24(33)11-12-25(34)30(29)35)20-7-4-6-19(15-20)23-10-9-22(36-32(41)42-2)17-26(23)37-31(18)40/h4,6-7,9-12,15-18,27H,3,5,8,13-14H2,1-2H3,(H,36,41)(H,37,40)/t18-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.590	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241478 (US9409908, 110 | US9951071, Example 110) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3cc(Cl)ccc3C)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C32H33ClN4O4/c1-19-7-8-23(33)17-26(19)22-12-14-37(30(38)16-22)29-6-4-5-20(2)31(39)36-27-18-24(35-32(40)41-3)9-10-25(27)21-11-13-34-28(29)15-21/h7-11,13,15-18,20,29H,4-6,12,14H2,1-3H3,(H,35,40)(H,36,39)/t20-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.620	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241407 (US9409908, 39 | US9951071, Example 39) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(Nc3nnc(o3)C3CC3)cc2NC1=O |r,c:9| Show InChI InChI=1S/C34H31ClF2N6O3/c1-18-3-2-4-28(43-14-12-21(16-29(43)44)30-25(36)10-9-24(35)31(30)37)27-15-20(11-13-38-27)23-8-7-22(17-26(23)40-32(18)45)39-34-42-41-33(46-34)19-5-6-19/h7-11,13,15-19,28H,2-6,12,14H2,1H3,(H,39,42)(H,40,45)/t18-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.670	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241409 (US9409908, 41 | US9951071, Example 41) Show SMILES COCc1nnc(Nc2ccc-3c(NC(=O)[C@H](C)CCC[C@H](N4CCC(=CC4=O)c4c(F)ccc(Cl)c4F)c4cc-3ccn4)c2)o1 |r,c:25| Show InChI InChI=1S/C33H31ClF2N6O4/c1-18-4-3-5-27(42-13-11-20(15-29(42)43)30-24(35)9-8-23(34)31(30)36)26-14-19(10-12-37-26)22-7-6-21(16-25(22)39-32(18)44)38-33-41-40-28(46-33)17-45-2/h6-10,12,14-16,18,27H,3-5,11,13,17H2,1-2H3,(H,38,41)(H,39,44)/t18-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.690	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241454 (US9409908, 86 | US9951071, Example 86) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc3CCC(=O)Nc3cc2NC1=O |r,c:9| Show InChI InChI=1S/C32H29ClF2N4O3/c1-17-3-2-4-27(39-12-10-20(15-29(39)41)30-23(34)7-6-22(33)31(30)35)26-14-18(9-11-36-26)21-13-19-5-8-28(40)37-24(19)16-25(21)38-32(17)42/h6-7,9,11,13-17,27H,2-5,8,10,12H2,1H3,(H,37,40)(H,38,42)/t17-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.720	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241441 (US9409908, 177 | US9409908, 178 | US9409908, 73 | ...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(C)C(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:23| Show InChI InChI=1S/C32H31ClF2N4O4/c1-17-5-4-6-27(39-16-18(2)22(15-28(39)40)29-24(34)10-9-23(33)30(29)35)26-13-19(11-12-36-26)21-8-7-20(37-32(42)43-3)14-25(21)38-31(17)41/h7-15,17-18,27H,4-6,16H2,1-3H3,(H,37,42)(H,38,41)/t17-,18?,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241564 (US9409908, 196 | US9951071, Example 196) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(Nc3cccnn3)cc2NC1=O |r,c:9| Show InChI InChI=1S/C33H29ClF2N6O2/c1-19-4-2-5-28(42-15-12-21(17-30(42)43)31-25(35)10-9-24(34)32(31)36)27-16-20(11-14-37-27)23-8-7-22(18-26(23)40-33(19)44)39-29-6-3-13-38-41-29/h3,6-11,13-14,16-19,28H,2,4-5,12,15H2,1H3,(H,39,41)(H,40,44)/t19-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241535 (US9409908, 167 | US9951071, Example 167) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2Br)c2cccc(c2)-c2cc(ccc2NC1=O)C(O)=O |r,c:9| Show InChI InChI=1S/C31H27BrClFN2O4/c1-17-4-2-7-26(36-13-12-20(16-27(36)37)28-23(32)9-10-24(33)29(28)34)19-6-3-5-18(14-19)22-15-21(31(39)40)8-11-25(22)35-30(17)38/h3,5-6,8-11,14-17,26H,2,4,7,12-13H2,1H3,(H,35,38)(H,39,40)/t17-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.810	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241519 (US9409908, 151 | US9951071, Example 151) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CCC(=CC1=O)c1cccc(Cl)c1F |r,c:32| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.840	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241369 (US9409908, 1 | US9951071, Example 1) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3OC)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C32H32ClFN4O5/c1-18-5-4-6-26(38-14-12-20(16-28(38)39)29-27(42-2)10-9-23(33)30(29)34)25-15-19(11-13-35-25)22-8-7-21(36-32(41)43-3)17-24(22)37-31(18)40/h7-11,13,15-18,26H,4-6,12,14H2,1-3H3,(H,36,41)(H,37,40)/t18-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.870	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241405 (US9409908, 37 | US9951071, Example 37) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2ccnc(c2)-c2ccc(Nc3nnc(C)o3)cc2NC1=O |r,c:9| Show InChI InChI=1S/C32H29ClF2N6O3/c1-17-4-3-5-27(41-13-11-20(15-28(41)42)29-24(34)9-8-23(33)30(29)35)19-10-12-36-25(14-19)22-7-6-21(16-26(22)38-31(17)43)37-32-40-39-18(2)44-32/h6-10,12,14-17,27H,3-5,11,13H2,1-2H3,(H,37,40)(H,38,43)/t17-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.870	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair

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