Compile Data Set for Download or QSAR

Found 438 hits with Last Name = 'richter' and Initial = 'm'   

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
Suppressor of tumorigenicity 14 protein [596-855] (Homo sapiens (Human))	BDBM236490 (US9365853, 1) Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H42N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15+,17-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0110	-62.5	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA US Patent					Assay Description Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...				US Patent US9365853 (2016) BindingDB Entry DOI: 10.7270/Q28W3C6F
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM525149 (US10988505, Comparative #1) Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzymatic assays and Ki determination were performed at room temperature in an assay buffer containing 50 mM Tris-HCl, 150 mM NaCl and 500 μg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351MD
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein [596-855] (Homo sapiens (Human))	BDBM236493 (US10988505, Comparative #2 | US9365853, 4) Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C21H30N8O4S/c1-11(27-19(33)12(22)8-9-16(23)30)18(32)28-14(6-4-10-26-21(24)25)17(31)20-29-13-5-2-3-7-15(13)34-20/h2-3,5,7,11-12,14H,4,6,8-10,22H2,1H3,(H2,23,30)(H,27,33)(H,28,32)(H4,24,25,26)/t11-,12-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0880	-57.4	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA US Patent					Assay Description Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...				US Patent US9365853 (2016) BindingDB Entry DOI: 10.7270/Q28W3C6F
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM236493 (US10988505, Comparative #2 | US9365853, 4) Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C21H30N8O4S/c1-11(27-19(33)12(22)8-9-16(23)30)18(32)28-14(6-4-10-26-21(24)25)17(31)20-29-13-5-2-3-7-15(13)34-20/h2-3,5,7,11-12,14H,4,6,8-10,22H2,1H3,(H2,23,30)(H,27,33)(H,28,32)(H4,24,25,26)/t11-,12-,14-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzymatic assays and Ki determination were performed at room temperature in an assay buffer containing 50 mM Tris-HCl, 150 mM NaCl and 500 μg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351MD
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM525151 (US10988505, Example 1) Show SMILES NC(=O)CC[C@H](NC(=O)CCCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzymatic assays and Ki determination were performed at room temperature in an assay buffer containing 50 mM Tris-HCl, 150 mM NaCl and 500 μg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351MD
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205841 (CHEMBL3898956) Show SMILES C[C@@H]1CC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc(OCC(F)F)c1c3)c2)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C34H34F3N5O5S/c1-18-11-31(43)40-21-5-10-29(48(45,46)23-6-7-23)20(12-21)16-42(2)34(44)32(19-3-9-28(25(18)13-19)47-17-30(36)37)41-22-4-8-24-26(14-22)27(35)15-39-33(24)38/h3-5,8-10,12-15,18,23,30,32,41H,6-7,11,16-17H2,1-2H3,(H2,38,39)(H,40,43)/t18-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM525153 (Ac-QFR-kbt | N-0386 | US10988505, Example 3) Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.506	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzymatic assays and Ki determination were performed at room temperature in an assay buffer containing 50 mM Tris-HCl, 150 mM NaCl and 500 μg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351MD
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein [596-855] (Homo sapiens (Human))	BDBM236494 (US9365853, 5) Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C18H24N6O3S/c1-10(22-11(2)25)16(27)23-13(7-5-9-21-18(19)20)15(26)17-24-12-6-3-4-8-14(12)28-17/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,22,25)(H,23,27)(H4,19,20,21)/t10-,13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	1.40	-50.5	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA US Patent					Assay Description Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...				US Patent US9365853 (2016) BindingDB Entry DOI: 10.7270/Q28W3C6F
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM525152 (Ms-QFR-kbt | N-0385 | US10988505, Example 2) Show SMILES CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzymatic assays and Ki determination were performed at room temperature in an assay buffer containing 50 mM Tris-HCl, 150 mM NaCl and 500 μg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351MD
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205843 (CHEMBL3978216) Show SMILES COc1ccc2cc1[C@@H](C)CN(C)C(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2ccc3c(N)ncc(F)c3c2)c1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C34H37FN6O5S/c1-19-17-41(3)34(43)39-22-7-12-30(47(44,45)24-8-9-24)21(13-22)18-40(2)33(42)31(20-5-11-29(46-4)26(19)14-20)38-23-6-10-25-27(15-23)28(35)16-37-32(25)36/h5-7,10-16,19,24,31,38H,8-9,17-18H2,1-4H3,(H2,36,37)(H,39,43)/t19-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein [596-855] (Homo sapiens (Human))	BDBM236496 (US9365853, 7) Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C31H47N13O8S/c1-15(40-27(51)19(10-11-22(33)45)42-26(50)16(32)6-4-12-38-30(34)35)25(49)43-20(14-23(46)47)28(52)41-18(8-5-13-39-31(36)37)24(48)29-44-17-7-2-3-9-21(17)53-29/h2-3,7,9,15-16,18-20H,4-6,8,10-14,32H2,1H3,(H2,33,45)(H,40,51)(H,41,52)(H,42,50)(H,43,49)(H,46,47)(H4,34,35,38)(H4,36,37,39)/t15-,16-,18+,19-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.60	-47.6	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA US Patent					Assay Description Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...				US Patent US9365853 (2016) BindingDB Entry DOI: 10.7270/Q28W3C6F
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205843 (CHEMBL3978216) Show SMILES COc1ccc2cc1[C@@H](C)CN(C)C(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2ccc3c(N)ncc(F)c3c2)c1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C34H37FN6O5S/c1-19-17-41(3)34(43)39-22-7-12-30(47(44,45)24-8-9-24)21(13-22)18-40(2)33(42)31(20-5-11-29(46-4)26(19)14-20)38-23-6-10-25-27(15-23)28(35)16-37-32(25)36/h5-7,10-16,19,24,31,38H,8-9,17-18H2,1-4H3,(H2,36,37)(H,39,43)/t19-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205817 (CHEMBL3905354) Show SMILES CN1Cc2cc(NC(=O)CCc3cccc(c3)[C@@H](Nc3ccc4c(N)nccc4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C31H31N5O4S/c1-36-18-22-17-23(7-11-27(22)41(39,40)25-8-9-25)34-28(37)12-5-19-3-2-4-21(15-19)29(31(36)38)35-24-6-10-26-20(16-24)13-14-33-30(26)32/h2-4,6-7,10-11,13-17,25,29,35H,5,8-9,12,18H2,1H3,(H2,32,33)(H,34,37)/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205824 (CHEMBL3913597) Show SMILES CN1CCc2cccc(c2)[C@@H](Nc2ccc3c(N)nccc3c2)C(=O)N(C)Cc2cc(NC1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C32H34N6O4S/c1-37-15-13-20-4-3-5-22(16-20)29(35-24-6-10-27-21(17-24)12-14-34-30(27)33)31(39)38(2)19-23-18-25(36-32(37)40)7-11-28(23)43(41,42)26-8-9-26/h3-7,10-12,14,16-18,26,29,35H,8-9,13,15,19H2,1-2H3,(H2,33,34)(H,36,40)/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50205841 (CHEMBL3898956) Show SMILES C[C@@H]1CC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc(OCC(F)F)c1c3)c2)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C34H34F3N5O5S/c1-18-11-31(43)40-21-5-10-29(48(45,46)23-6-7-23)20(12-21)16-42(2)34(44)32(19-3-9-28(25(18)13-19)47-17-30(36)37)41-22-4-8-24-26(14-22)27(35)15-39-33(24)38/h3-5,8-10,12-15,18,23,30,32,41H,6-7,11,16-17H2,1-2H3,(H2,38,39)(H,40,43)/t18-,32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of tissue Kallikrein-1 (unknown origin)				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein [596-855] (Homo sapiens (Human))	BDBM236492 (US9365853, 3) Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H42N10O5S/c1-15(34-25(42)19(11-12-21(30)38)36-24(41)16(29)7-6-14-33-27(31)32)23(40)35-18(9-4-5-13-28)22(39)26-37-17-8-2-3-10-20(17)43-26/h2-3,8,10,15-16,18-19H,4-7,9,11-14,28-29H2,1H3,(H2,30,38)(H,34,42)(H,35,40)(H,36,41)(H4,31,32,33)/t15-,16-,18-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.5	-45.8	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA US Patent					Assay Description Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...				US Patent US9365853 (2016) BindingDB Entry DOI: 10.7270/Q28W3C6F
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205821 (CHEMBL3950926) Show SMILES CN1CCc2cccc(c2)[C@@H](Nc2ccc3c(N)ncc(F)c3c2)C(=O)N(C)Cc2cc(NC1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C32H33FN6O4S/c1-38-13-12-19-4-3-5-20(14-19)29(36-23-6-10-25-26(16-23)27(33)17-35-30(25)34)31(40)39(2)18-21-15-22(37-32(38)41)7-11-28(21)44(42,43)24-8-9-24/h3-7,10-11,14-17,24,29,36H,8-9,12-13,18H2,1-2H3,(H2,34,35)(H,37,41)/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205816 (CHEMBL3936212) Show SMILES CN1Cc2cc(NC(=O)NCCc3cccc(c3)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C31H31FN6O4S/c1-38-17-20-14-21(6-10-27(20)43(41,42)23-7-8-23)37-31(40)34-12-11-18-3-2-4-19(13-18)28(30(38)39)36-22-5-9-24-25(15-22)26(32)16-35-29(24)33/h2-6,9-10,13-16,23,28,36H,7-8,11-12,17H2,1H3,(H2,33,35)(H2,34,37,40)/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205818 (CHEMBL3889510) Show SMILES COc1ccc2cc1CCC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2ccc3c(N)ncc(F)c3c2)c1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C32H32FN5O5S/c1-38-17-20-14-21(6-11-28(20)44(41,42)23-7-8-23)36-29(39)12-4-18-13-19(3-10-27(18)43-2)30(32(38)40)37-22-5-9-24-25(15-22)26(33)16-35-31(24)34/h3,5-6,9-11,13-16,23,30,37H,4,7-8,12,17H2,1-2H3,(H2,34,35)(H,36,39)/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205826 (CHEMBL3941720) Show SMILES COc1ccc2cc1COCC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2ccc3c(N)nccc3c2)c1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C32H33N5O6S/c1-37-16-21-15-23(5-10-28(21)44(40,41)25-6-7-25)35-29(38)18-43-17-22-13-20(3-9-27(22)42-2)30(32(37)39)36-24-4-8-26-19(14-24)11-12-34-31(26)33/h3-5,8-15,25,30,36H,6-7,16-18H2,1-2H3,(H2,33,34)(H,35,38)/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50205819 (CHEMBL3978462) Show SMILES C[C@H]1CC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc(OCC(F)F)c1c3)c2)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C34H34F3N5O5S/c1-18-11-31(43)40-21-5-10-29(48(45,46)23-6-7-23)20(12-21)16-42(2)34(44)32(19-3-9-28(25(18)13-19)47-17-30(36)37)41-22-4-8-24-26(14-22)27(35)15-39-33(24)38/h3-5,8-10,12-15,18,23,30,32,41H,6-7,11,16-17H2,1-2H3,(H2,38,39)(H,40,43)/t18-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of tissue Kallikrein-1 (unknown origin)				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205840 (CHEMBL3916978) Show SMILES CN1Cc2cc(NC(=O)CCc3cc(ccc3OCC3CC3)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C35H36FN5O5S/c1-41-18-23-15-24(7-12-31(23)47(44,45)26-8-9-26)39-32(42)13-5-21-14-22(4-11-30(21)46-19-20-2-3-20)33(35(41)43)40-25-6-10-27-28(16-25)29(36)17-38-34(27)37/h4,6-7,10-12,14-17,20,26,33,40H,2-3,5,8-9,13,18-19H2,1H3,(H2,37,38)(H,39,42)/t33-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205822 (CHEMBL3897886) Show SMILES CN1Cc2cc(NC(=O)CCc3cc(ccc3OCC(F)F)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H32F3N5O5S/c1-41-16-20-13-21(5-10-28(20)47(44,45)23-6-7-23)39-30(42)11-3-18-12-19(2-9-27(18)46-17-29(35)36)31(33(41)43)40-22-4-8-24-25(14-22)26(34)15-38-32(24)37/h2,4-5,8-10,12-15,23,29,31,40H,3,6-7,11,16-17H2,1H3,(H2,37,38)(H,39,42)/t31-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50205841 (CHEMBL3898956) Show SMILES C[C@@H]1CC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc(OCC(F)F)c1c3)c2)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C34H34F3N5O5S/c1-18-11-31(43)40-21-5-10-29(48(45,46)23-6-7-23)20(12-21)16-42(2)34(44)32(19-3-9-28(25(18)13-19)47-17-30(36)37)41-22-4-8-24-26(14-22)27(35)15-39-33(24)38/h3-5,8-10,12-15,18,23,30,32,41H,6-7,11,16-17H2,1-2H3,(H2,38,39)(H,40,43)/t18-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of activated protein C (unknown origin)				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205836 (CHEMBL3899540) Show SMILES COc1ccc2cc1[C@H](C)CN(C)C(=O)Nc1ccc(c(CN(C)C(=O)C2Nc2ccc3c(N)ncc(F)c3c2)c1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C34H37FN6O5S/c1-19-17-41(3)34(43)39-22-7-12-30(47(44,45)24-8-9-24)21(13-22)18-40(2)33(42)31(20-5-11-29(46-4)26(19)14-20)38-23-6-10-25-27(15-23)28(35)16-37-32(25)36/h5-7,10-16,19,24,31,38H,8-9,17-18H2,1-4H3,(H2,36,37)(H,39,43)/t19-,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205817 (CHEMBL3905354) Show SMILES CN1Cc2cc(NC(=O)CCc3cccc(c3)[C@@H](Nc3ccc4c(N)nccc4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C31H31N5O4S/c1-36-18-22-17-23(7-11-27(22)41(39,40)25-8-9-25)34-28(37)12-5-19-3-2-4-21(15-19)29(31(36)38)35-24-6-10-26-20(16-24)13-14-33-30(26)32/h2-4,6-7,10-11,13-17,25,29,35H,5,8-9,12,18H2,1H3,(H2,32,33)(H,34,37)/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205847 (CHEMBL3923395) Show SMILES CN1Cc2cc(NC(=O)N(CC3CC3)CCc3cccc(c3)C(Nc3ccc4c(N)ncc(F)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 Show InChI InChI=1S/C35H37FN6O4S/c1-41-20-24-16-25(8-12-31(24)47(45,46)27-9-10-27)40-35(44)42(19-22-5-6-22)14-13-21-3-2-4-23(15-21)32(34(41)43)39-26-7-11-28-29(17-26)30(36)18-38-33(28)37/h2-4,7-8,11-12,15-18,22,27,32,39H,5-6,9-10,13-14,19-20H2,1H3,(H2,37,38)(H,40,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205819 (CHEMBL3978462) Show SMILES C[C@H]1CC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc(OCC(F)F)c1c3)c2)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C34H34F3N5O5S/c1-18-11-31(43)40-21-5-10-29(48(45,46)23-6-7-23)20(12-21)16-42(2)34(44)32(19-3-9-28(25(18)13-19)47-17-30(36)37)41-22-4-8-24-26(14-22)27(35)15-39-33(24)38/h3-5,8-10,12-15,18,23,30,32,41H,6-7,11,16-17H2,1-2H3,(H2,38,39)(H,40,43)/t18-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205839 (CHEMBL3925975) Show SMILES CN1Cc2cc(NC(=O)CCc3cc(ccc3C3CC3)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C34H34FN5O4S/c1-40-18-22-15-23(7-12-30(22)45(43,44)25-8-9-25)38-31(41)13-5-20-14-21(4-10-26(20)19-2-3-19)32(34(40)42)39-24-6-11-27-28(16-24)29(35)17-37-33(27)36/h4,6-7,10-12,14-17,19,25,32,39H,2-3,5,8-9,13,18H2,1H3,(H2,36,37)(H,38,41)/t32-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205827 (CHEMBL3979870) Show SMILES CN1Cc2cc(NC(=O)N(Cc3ccccc3)CCc3cccc(c3)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C38H37FN6O4S/c1-44-23-27-19-28(11-15-34(27)50(48,49)30-12-13-30)43-38(47)45(22-25-6-3-2-4-7-25)17-16-24-8-5-9-26(18-24)35(37(44)46)42-29-10-14-31-32(20-29)33(39)21-41-36(31)40/h2-11,14-15,18-21,30,35,42H,12-13,16-17,22-23H2,1H3,(H2,40,41)(H,43,47)/t35-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205823 (CHEMBL3986712) Show SMILES CN1Cc2cc(NC(=O)CCc3cc(ccc3O)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C31H30FN5O5S/c1-37-16-19-13-20(5-10-27(19)43(41,42)22-6-7-22)35-28(39)11-3-17-12-18(2-9-26(17)38)29(31(37)40)36-21-4-8-23-24(14-21)25(32)15-34-30(23)33/h2,4-5,8-10,12-15,22,29,36,38H,3,6-7,11,16H2,1H3,(H2,33,34)(H,35,39)/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50205822 (CHEMBL3897886) Show SMILES CN1Cc2cc(NC(=O)CCc3cc(ccc3OCC(F)F)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H32F3N5O5S/c1-41-16-20-13-21(5-10-28(20)47(44,45)23-6-7-23)39-30(42)11-3-18-12-19(2-9-27(18)46-17-29(35)36)31(33(41)43)40-22-4-8-24-25(14-22)26(34)15-38-32(24)37/h2,4-5,8-10,12-15,23,29,31,40H,3,6-7,11,16-17H2,1H3,(H2,37,38)(H,39,42)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of tissue Kallikrein-1 (unknown origin)				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205845 (CHEMBL3890575) Show SMILES CN1Cc2cc(NC(=O)N(CC3CCC3)CCc3cccc(c3)C(Nc3ccc4c(N)ncc(F)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 Show InChI InChI=1S/C36H39FN6O4S/c1-42-21-25-17-26(9-13-32(25)48(46,47)28-10-11-28)41-36(45)43(20-23-5-2-6-23)15-14-22-4-3-7-24(16-22)33(35(42)44)40-27-8-12-29-30(18-27)31(37)19-39-34(29)38/h3-4,7-9,12-13,16-19,23,28,33,40H,2,5-6,10-11,14-15,20-21H2,1H3,(H2,38,39)(H,41,45)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205844 (CHEMBL3971304) Show SMILES CN1Cc2cc(NC(=O)OCCc3cccc(c3)[C@@H](Nc3ccc4c(N)nccc4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C31H31N5O5S/c1-36-18-22-17-24(6-10-27(22)42(39,40)25-7-8-25)35-31(38)41-14-12-19-3-2-4-21(15-19)28(30(36)37)34-23-5-9-26-20(16-23)11-13-33-29(26)32/h2-6,9-11,13,15-17,25,28,34H,7-8,12,14,18H2,1H3,(H2,32,33)(H,35,38)/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205821 (CHEMBL3950926) Show SMILES CN1CCc2cccc(c2)[C@@H](Nc2ccc3c(N)ncc(F)c3c2)C(=O)N(C)Cc2cc(NC1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C32H33FN6O4S/c1-38-13-12-19-4-3-5-20(14-19)29(36-23-6-10-25-26(16-23)27(33)17-35-30(25)34)31(40)39(2)18-21-15-22(37-32(38)41)7-11-28(21)44(42,43)24-8-9-24/h3-7,10-11,14-17,24,29,36H,8-9,12-13,18H2,1-2H3,(H2,34,35)(H,37,41)/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205838 (CHEMBL3908592) Show SMILES CN1Cc2cc(NC(=O)CCc3cc(ccc3F)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C31H29F2N5O4S/c1-38-16-19-13-20(5-10-27(19)43(41,42)22-6-7-22)36-28(39)11-3-17-12-18(2-9-25(17)32)29(31(38)40)37-21-4-8-23-24(14-21)26(33)15-35-30(23)34/h2,4-5,8-10,12-15,22,29,37H,3,6-7,11,16H2,1H3,(H2,34,35)(H,36,39)/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205825 (CHEMBL3970233) Show SMILES CN1Cc2cc(NC(=O)OCc3cccc(c3)[C@@H](Nc3ccc4c(N)nccc4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C30H29N5O5S/c1-35-16-21-15-23(6-10-26(21)41(38,39)24-7-8-24)34-30(37)40-17-18-3-2-4-20(13-18)27(29(35)36)33-22-5-9-25-19(14-22)11-12-32-28(25)31/h2-6,9-15,24,27,33H,7-8,16-17H2,1H3,(H2,31,32)(H,34,37)/t27-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205837 (CHEMBL3933476) Show SMILES CN1Cc2cc(NC(=O)CCc3cccc(c3)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C31H30FN5O4S/c1-37-17-20-14-21(7-11-27(20)42(40,41)23-8-9-23)35-28(38)12-5-18-3-2-4-19(13-18)29(31(37)39)36-22-6-10-24-25(15-22)26(32)16-34-30(24)33/h2-4,6-7,10-11,13-16,23,29,36H,5,8-9,12,17H2,1H3,(H2,33,34)(H,35,38)/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205846 (CHEMBL3917539) Show SMILES COc1cc2CCC(=O)Nc3ccc(c(CN(C)C(=O)[C@H](Nc4ccc5c(N)ncc(F)c5c4)c(c2)c1)c3)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C32H32FN5O5S/c1-38-17-20-13-21(5-9-28(20)44(41,42)24-6-7-24)36-29(39)10-3-18-11-19(14-23(12-18)43-2)30(32(38)40)37-22-4-8-25-26(15-22)27(33)16-35-31(25)34/h4-5,8-9,11-16,24,30,37H,3,6-7,10,17H2,1-2H3,(H2,34,35)(H,36,39)/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205842 (CHEMBL3907990) Show SMILES COc1c(F)cc2cc1CCC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2ccc3c(N)ncc(F)c3c2)c1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C32H31F2N5O5S/c1-39-16-19-12-20(5-9-27(19)45(42,43)22-6-7-22)37-28(40)10-3-17-11-18(13-25(33)30(17)44-2)29(32(39)41)38-21-4-8-23-24(14-21)26(34)15-36-31(23)35/h4-5,8-9,11-15,22,29,38H,3,6-7,10,16H2,1-2H3,(H2,35,36)(H,37,40)/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein [596-855] (Homo sapiens (Human))	BDBM236495 (US9365853, 6) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C15H19N5O2S/c1-9(21)19-11(6-4-8-18-15(16)17)13(22)14-20-10-5-2-3-7-12(10)23-14/h2-3,5,7,11H,4,6,8H2,1H3,(H,19,21)(H4,16,17,18)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	457	-36.2	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA US Patent					Assay Description Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...				US Patent US9365853 (2016) BindingDB Entry DOI: 10.7270/Q28W3C6F
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50205820 (CHEMBL3919135) Show SMILES CN1Cc2cc(NC(=O)COc3cccc(c3)[C@@H](Nc3ccc4c(N)nccc4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C30H29N5O5S/c1-35-16-20-14-21(6-10-26(20)41(38,39)24-7-8-24)33-27(36)17-40-23-4-2-3-19(15-23)28(30(35)37)34-22-5-9-25-18(13-22)11-12-32-29(25)31/h2-6,9-15,24,28,34H,7-8,16-17H2,1H3,(H2,31,32)(H,33,36)/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50205822 (CHEMBL3897886) Show SMILES CN1Cc2cc(NC(=O)CCc3cc(ccc3OCC(F)F)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H32F3N5O5S/c1-41-16-20-13-21(5-10-28(20)47(44,45)23-6-7-23)39-30(42)11-3-18-12-19(2-9-27(18)46-17-29(35)36)31(33(41)43)40-22-4-8-24-25(14-22)26(34)15-38-32(24)37/h2,4-5,8-10,12-15,23,29,31,40H,3,6-7,11,16-17H2,1H3,(H2,37,38)(H,39,42)/t31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of activated protein C (unknown origin)				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50205819 (CHEMBL3978462) Show SMILES C[C@H]1CC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc(OCC(F)F)c1c3)c2)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C34H34F3N5O5S/c1-18-11-31(43)40-21-5-10-29(48(45,46)23-6-7-23)20(12-21)16-42(2)34(44)32(19-3-9-28(25(18)13-19)47-17-30(36)37)41-22-4-8-24-26(14-22)27(35)15-39-33(24)38/h3-5,8-10,12-15,18,23,30,32,41H,6-7,11,16-17H2,1-2H3,(H2,38,39)(H,40,43)/t18-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of activated protein C (unknown origin)				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein [596-855] (Homo sapiens (Human))	BDBM236491 (US9365853, 2) Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H44N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18,21,41H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15-,17-,18-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.12E+3	-29.8	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA US Patent					Assay Description Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...				US Patent US9365853 (2016) BindingDB Entry DOI: 10.7270/Q28W3C6F
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Hong Kong/1/1968(H3N2)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM176023 (US10047103, 56 | US9688695, 56) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCCOCC3)cc(OC)cc2o1 Show InChI InChI=1S/C23H23N5O5S2/c1-29-15-8-18(32-12-14-13-34-21(24-14)27-4-3-6-31-7-5-27)16-10-20(33-19(16)9-15)17-11-28-22(25-17)35-23(26-28)30-2/h8-11,13H,3-7,12H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00359 BindingDB Entry DOI: 10.7270/Q2VH5SWM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM176082 (US10047103, 115 | US9688695, 115) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3CCC(F)(F)CC3)cc(OC)cc2o1 Show InChI InChI=1S/C24H22F2N4O4S2/c1-31-15-7-18(33-11-14-12-35-21(27-14)13-3-5-24(25,26)6-4-13)16-9-20(34-19(16)8-15)17-10-30-22(28-17)36-23(29-30)32-2/h7-10,12-13H,3-6,11H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00359 BindingDB Entry DOI: 10.7270/Q2VH5SWM
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM175970 (US10047103, 3 | US9605024, Example 3 | US9688695, ...) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccccc3)cc(OC)cc2o1 Show InChI InChI=1S/C24H18N4O4S2/c1-29-16-8-19(31-12-15-13-33-22(25-15)14-6-4-3-5-7-14)17-10-21(32-20(17)9-16)18-11-28-23(26-18)34-24(27-28)30-2/h3-11,13H,12H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00359 BindingDB Entry DOI: 10.7270/Q2VH5SWM
					More data for this Ligand-Target Pair

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