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Found 89 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor VII/tissue factor' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424066
PNG
(CHEMBL2314739)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C28H25NO5/c1-31-24-9-8-19-13-23-21-15-26-25(32-17-33-26)14-20(21)11-12-29(23)16-22(19)28(24)34-27(30)10-7-18-5-3-2-4-6-18/h2-10,14-15,23H,11-13,16-17H2,1H3/b10-7+
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n/an/a 3.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424072
PNG
(CHEMBL2314733 | R-(+)-Tetrahydroberberrubine)
Show SMILES COc1ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc2c1O
Show InChI InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50203122
PNG
(5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo(g)-1...)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
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n/an/a 8.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424063
PNG
(CHEMBL2314742)
Show SMILES COc1ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C25H29NO9/c1-31-17-3-2-12-6-16-14-8-19-18(32-11-33-19)7-13(14)4-5-26(16)9-15(12)24(17)35-25-23(30)22(29)21(28)20(10-27)34-25/h2-3,7-8,16,20-23,25,27-30H,4-6,9-11H2,1H3/t16-,20-,21-,22+,23-,25+/m1/s1
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n/an/a 8.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424072
PNG
(CHEMBL2314733 | R-(+)-Tetrahydroberberrubine)
Show SMILES COc1ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc2c1O
Show InChI InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424061
PNG
(CHEMBL2314744)
Show SMILES COc1cc2CCN3Cc4c(C[C@@H]3c2cc1OC)ccc(OC)c4O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C26H33NO9/c1-32-18-5-4-13-8-17-15-10-20(34-3)19(33-2)9-14(15)6-7-27(17)11-16(13)25(18)36-26-24(31)23(30)22(29)21(12-28)35-26/h4-5,9-10,17,21-24,26,28-31H,6-8,11-12H2,1-3H3/t17-,21-,22-,23+,24-,26+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50170666
PNG
(2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-iso...)
Show SMILES COc1cc2CCN3Cc4c(CC3c2cc1OC)ccc(OC)c4OC
Show InChI InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3
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n/an/a 15n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424062
PNG
(CHEMBL2314743)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C26H33NO9/c1-32-18-5-4-13-8-17-15-10-20(34-3)19(33-2)9-14(15)6-7-27(17)11-16(13)25(18)36-26-24(31)23(30)22(29)21(12-28)35-26/h4-5,9-10,17,21-24,26,28-31H,6-8,11-12H2,1-3H3/t17-,21+,22+,23-,24+,26-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 20n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HOSCN-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of HOSCN challenge by one stage clotting assa...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 20n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of LPS challenge by one stage clotting assay


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 20n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IL-1-beta-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of IL1-beta challenge by one stage clotti...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424077
PNG
((-)-Tetrahydropalmatine | L-Tetrahydropalmatine | ...)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC
Show InChI InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 30n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of TNFalpha challenge by one stage clotti...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424073
PNG
(CHEMBL2314732)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1O
Show InChI InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424064
PNG
(CHEMBL2314741)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C25H29NO9/c1-31-17-3-2-12-6-16-14-8-19-18(32-11-33-19)7-13(14)4-5-26(16)9-15(12)24(17)35-25-23(30)22(29)21(28)20(10-27)34-25/h2-3,7-8,16,20-23,25,27-30H,4-6,9-11H2,1H3/t16-,20+,21+,22-,23+,25-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 50n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor activity in human PBMC preincubated for 4 hrs assessed after 5 hrs of LPS challenge by one stage clotting ass...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 50n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IL-1-beta-induced tissue factor activity in human PBMC preincubated for 4 hrs assessed after 5 hrs of IL1-beta challenge by one stage c...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424071
PNG
(CHEMBL2314734)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(C)=O
Show InChI InChI=1S/C21H21NO5/c1-12(23)27-21-16-10-22-6-5-14-8-19-20(26-11-25-19)9-15(14)17(22)7-13(16)3-4-18(21)24-2/h3-4,8-9,17H,5-7,10-11H2,1-2H3
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n/an/a 63n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50378584
PNG
(STEPHOLIDINE)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC
Show InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
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n/an/a 105n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424070
PNG
(CHEMBL2314735)
Show SMILES CCC(=O)Oc1c(OC)ccc2CC3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C22H23NO5/c1-3-21(24)28-22-16-11-23-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13(16)4-5-18(22)25-2/h4-5,9-10,17H,3,6-8,11-12H2,1-2H3
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PubMed
n/an/a 119n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of LPS challenge by one stage clotting assay


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424075
PNG
((-)-Corydalmine | CHEMBL448891)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(O)c4OC
Show InChI InChI=1S/C20H23NO4/c1-23-18-9-13-6-7-21-11-15-12(4-5-17(22)20(15)25-3)8-16(21)14(13)10-19(18)24-2/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
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n/an/a 152n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424076
PNG
(CHEMBL2314745)
Show SMILES COc1ccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc2c1O
Show InChI InChI=1S/C20H23NO4/c1-23-17-5-4-12-8-16-14-10-19(25-3)18(24-2)9-13(14)6-7-21(16)11-15(12)20(17)22/h4-5,9-10,16,22H,6-8,11H2,1-3H3
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n/an/a 187n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of TNFalpha challenge by one stage clotti...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424065
PNG
(CHEMBL2314740)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(=O)\C=C\c1ccc(OC(C)=O)c(OC)c1
Show InChI InChI=1S/C31H29NO8/c1-18(33)39-25-7-4-19(12-27(25)36-3)5-9-30(34)40-31-23-16-32-11-10-21-14-28-29(38-17-37-28)15-22(21)24(32)13-20(23)6-8-26(31)35-2/h4-9,12,14-15,24H,10-11,13,16-17H2,1-3H3/b9-5+
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n/an/a 202n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424068
PNG
(CHEMBL2314737)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(=O)c1ccccc1
Show InChI InChI=1S/C26H23NO5/c1-29-22-8-7-17-11-21-19-13-24-23(30-15-31-24)12-18(19)9-10-27(21)14-20(17)25(22)32-26(28)16-5-3-2-4-6-16/h2-8,12-13,21H,9-11,14-15H2,1H3
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n/an/a 377n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424067
PNG
(CHEMBL2314738)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(=O)c1ccccc1OC(C)=O
Show InChI InChI=1S/C28H25NO7/c1-16(30)35-23-6-4-3-5-19(23)28(31)36-27-21-14-29-10-9-18-12-25-26(34-15-33-25)13-20(18)22(29)11-17(21)7-8-24(27)32-2/h3-8,12-13,22H,9-11,14-15H2,1-2H3
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n/an/a 555n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424074
PNG
(CHEMBL2314747)
Show SMILES COc1ccc2CC3N(CCc4cc(O)c(O)cc34)Cc2c1OC
Show InChI InChI=1S/C19H21NO4/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3
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PubMed
n/an/a 969n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293385
PNG
(2-[(3S)-7-[2-Aminoethyl]-3-[benzylsulfonylamino]-4...)
Show SMILES NCCc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1
Show InChI InChI=1S/C28H32N6O4S2/c29-13-12-19-8-11-25-24(14-19)34(16-26(35)32-15-20-6-9-22(10-7-20)27(30)31)28(36)23(17-39-25)33-40(37,38)18-21-4-2-1-3-5-21/h1-11,14,23,33H,12-13,15-18,29H2,(H3,30,31)(H,32,35)/t23-/m1/s1
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PubMed
n/an/a 1.32E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293384
PNG
(2-Amino-3-{(3S)-5-[2-({4-[amino(imino)methyl]benzy...)
Show SMILES NC(Cc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1)C(O)=O
Show InChI InChI=1S/C29H32N6O6S2/c30-22(29(38)39)12-20-8-11-25-24(13-20)35(15-26(36)33-14-18-6-9-21(10-7-18)27(31)32)28(37)23(16-42-25)34-43(40,41)17-19-4-2-1-3-5-19/h1-11,13,22-23,34H,12,14-17,30H2,(H3,31,32)(H,33,36)(H,38,39)/t22?,23-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424069
PNG
(CHEMBL2314736)
Show SMILES CCCCCC(=O)Oc1c(OC)ccc2CC3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C25H29NO5/c1-3-4-5-6-24(27)31-25-19-14-26-10-9-17-12-22-23(30-15-29-22)13-18(17)20(26)11-16(19)7-8-21(25)28-2/h7-8,12-13,20H,3-6,9-11,14-15H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293388
PNG
(2-[(3S)-7-Aminomethyl-3-[benzylsulfonylamino]-4-ox...)
Show SMILES NCc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1
Show InChI InChI=1S/C27H30N6O4S2/c28-13-20-8-11-24-23(12-20)33(15-25(34)31-14-18-6-9-21(10-7-18)26(29)30)27(35)22(16-38-24)32-39(36,37)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17,28H2,(H3,29,30)(H,31,34)/t22-/m1/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293391
PNG
(2-[(3S)-7-Amino-3-[benzylsulfonylamino]-4-oxo-3,4-...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(N)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C26H28N6O4S2/c27-20-10-11-23-22(12-20)32(14-24(33)30-13-17-6-8-19(9-7-17)25(28)29)26(34)21(15-37-23)31-38(35,36)16-18-4-2-1-3-5-18/h1-12,21,31H,13-16,27H2,(H3,28,29)(H,30,33)/t21-/m1/s1
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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293386
PNG
(CHEMBL554824 | {(3S)-5-[2-({4-[Amino(imino)methyl]...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(CCC(O)=O)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C29H31N5O6S2/c30-28(31)22-10-6-20(7-11-22)15-32-26(35)16-34-24-14-19(9-13-27(36)37)8-12-25(24)41-17-23(29(34)38)33-42(39,40)18-21-4-2-1-3-5-21/h1-8,10-12,14,23,33H,9,13,15-18H2,(H3,30,31)(H,32,35)(H,36,37)/t23-/m1/s1
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n/an/a 2.64E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293389
PNG
(CHEMBL553237 | {(3S)-5-[2-({4-[Amino(imino)methyl]...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(CC(O)=O)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C28H29N5O6S2/c29-27(30)21-9-6-18(7-10-21)14-31-25(34)15-33-23-12-20(13-26(35)36)8-11-24(23)40-16-22(28(33)37)32-41(38,39)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17H2,(H3,29,30)(H,31,34)(H,35,36)/t22-/m1/s1
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n/an/a 2.98E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293401
PNG
((3S)-5-[2-([4-[Amino(imino)methyl]benzyl]amino)-2-...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)C(O)=O)cc1
Show InChI InChI=1S/C27H27N5O6S2/c28-25(29)19-8-6-17(7-9-19)13-30-24(33)14-32-22-12-20(27(35)36)10-11-23(22)39-15-21(26(32)34)31-40(37,38)16-18-4-2-1-3-5-18/h1-12,21,31H,13-16H2,(H3,28,29)(H,30,33)(H,35,36)/t21-/m1/s1
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n/an/a 4.67E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293390
PNG
(2-[(3S)-8-Amino-3-[benzylsulfonylamino]-4-oxo-3,4-...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccc(N)cc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C26H28N6O4S2/c27-20-10-11-22-23(12-20)37-15-21(31-38(35,36)16-18-4-2-1-3-5-18)26(34)32(22)14-24(33)30-13-17-6-8-19(9-7-17)25(28)29/h1-12,21,31H,13-16,27H2,(H3,28,29)(H,30,33)/t21-/m1/s1
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n/an/a 4.86E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293387
PNG
(2-[(3S)-8-Aminomethyl-3-[benzylsulfonylamino]-4-ox...)
Show SMILES NCc1ccc2N(CC(=O)NCc3ccc(cc3)C(N)=N)C(=O)[C@@H](CSc2c1)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C27H30N6O4S2/c28-13-20-8-11-23-24(12-20)38-16-22(32-39(36,37)17-19-4-2-1-3-5-19)27(35)33(23)15-25(34)31-14-18-6-9-21(10-7-18)26(29)30/h1-12,22,32H,13-17,28H2,(H3,29,30)(H,31,34)/t22-/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293383
PNG
(2-[(3S)-3-[Benzylsulfonylamino]-7-(3-nitrophenyl)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)-c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C32H30N6O6S2/c33-31(34)23-11-9-21(10-12-23)17-35-30(39)18-37-28-16-25(24-7-4-8-26(15-24)38(41)42)13-14-29(28)45-19-27(32(37)40)36-46(43,44)20-22-5-2-1-3-6-22/h1-16,27,36H,17-20H2,(H3,33,34)(H,35,39)/t27-/m1/s1
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n/an/a 5.96E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US9265734, MS-275 | benzami...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of LPS challenge by one stage clotting assay


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293382
PNG
(2-[(3S)-7-(3-Aminophenyl)-3-[benzylsulfonylamino]-...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)-c2cccc(N)c2)cc1
Show InChI InChI=1S/C32H32N6O4S2/c33-26-8-4-7-24(15-26)25-13-14-29-28(16-25)38(18-30(39)36-17-21-9-11-23(12-10-21)31(34)35)32(40)27(19-43-29)37-44(41,42)20-22-5-2-1-3-6-22/h1-16,27,37H,17-20,33H2,(H3,34,35)(H,36,39)/t27-/m1/s1
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n/an/a 6.86E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US9265734, MS-275 | benzami...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of TNFalpha challenge by one stage clotti...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293397
PNG
(2-[(3S)-3-[Benzylsulfonylamino]-4-oxo-7-phenyl-3,4...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)-c2ccccc2)cc1
Show InChI InChI=1S/C32H31N5O4S2/c33-31(34)25-13-11-22(12-14-25)18-35-30(38)19-37-28-17-26(24-9-5-2-6-10-24)15-16-29(28)42-20-27(32(37)39)36-43(40,41)21-23-7-3-1-4-8-23/h1-17,27,36H,18-21H2,(H3,33,34)(H,35,38)/t27-/m1/s1
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n/an/a 1.09E+4n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293398
PNG
(CHEMBL552926 | {(3S)-5-[2-({4-[Amino(imino)methyl]...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccc(CCC(O)=O)cc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C29H31N5O6S2/c30-28(31)22-10-6-20(7-11-22)15-32-26(35)16-34-24-12-8-19(9-13-27(36)37)14-25(24)41-17-23(29(34)38)33-42(39,40)18-21-4-2-1-3-5-21/h1-8,10-12,14,23,33H,9,13,15-18H2,(H3,30,31)(H,32,35)(H,36,37)/t23-/m1/s1
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n/an/a 1.31E+4n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293399
PNG
(CHEMBL554142 | {(3S)-5-[2-({4-[Amino(imino)methyl]...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccc(CC(O)=O)cc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C28H29N5O6S2/c29-27(30)21-9-6-18(7-10-21)14-31-25(34)15-33-23-11-8-20(13-26(35)36)12-24(23)40-16-22(28(33)37)32-41(38,39)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17H2,(H3,29,30)(H,31,34)(H,35,36)/t22-/m1/s1
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n/an/a 1.43E+4n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293408
PNG
((S)-2-(5-(2-(4-carbamimidoylbenzylamino)-2-oxoethy...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccccc3SC[C@@H](NCC(O)=O)C2=O)cc1
Show InChI InChI=1S/C21H23N5O4S/c22-20(23)14-7-5-13(6-8-14)9-25-18(27)11-26-16-3-1-2-4-17(16)31-12-15(21(26)30)24-10-19(28)29/h1-8,15,24H,9-12H2,(H3,22,23)(H,25,27)(H,28,29)/t15-/m1/s1
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n/an/a 1.59E+4n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293377
PNG
((R)-N-(4-carbamimidoylbenzyl)-3-(4-oxo-3-(phenylme...)
Show SMILES NC(=N)c1ccc(CNC(=O)CCN2c3ccccc3SC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C27H29N5O4S2/c28-26(29)21-12-10-19(11-13-21)16-30-25(33)14-15-32-23-8-4-5-9-24(23)37-17-22(27(32)34)31-38(35,36)18-20-6-2-1-3-7-20/h1-13,22,31H,14-18H2,(H3,28,29)(H,30,33)/t22-/m0/s1
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n/an/a 1.97E+4n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293381
PNG
((R)-2-(3-amino-4-oxo-3,4-dihydrobenzo[b][1,4]thiaz...)
Show SMILES N[C@H]1CSc2ccccc2N(CC(=O)NCc2ccc(cc2)C(N)=N)C1=O
Show InChI InChI=1S/C19H21N5O2S/c20-14-11-27-16-4-2-1-3-15(16)24(19(14)26)10-17(25)23-9-12-5-7-13(8-6-12)18(21)22/h1-8,14H,9-11,20H2,(H3,21,22)(H,23,25)/t14-/m0/s1
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n/an/a 2.44E+4n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50293375
PNG
((R)-4-(5-(2-(4-carbamimidoylbenzylamino)-2-oxoethy...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccccc3SC[C@H](NC(=O)CCC(O)=O)C2=O)cc1
Show InChI InChI=1S/C23H25N5O5S/c24-22(25)15-7-5-14(6-8-15)11-26-20(30)12-28-17-3-1-2-4-18(17)34-13-16(23(28)33)27-19(29)9-10-21(31)32/h1-8,16H,9-13H2,(H3,24,25)(H,26,30)(H,27,29)(H,31,32)/t16-/m0/s1
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n/an/a 2.77E+4n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Citation and Details
More data for this
Ligand-Target Pair
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