Compile Data Set for Download or QSAR
Found 15 Enz. Inhib. hit(s) with all data for entry = 50006252
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50498202(CHEMBL3416136)
Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2CCNC(=O)c2c1)c1cc(OC)c(OC)cc1F)S(=O)(=O)C(C)C
Show InChI InChI=1S/C34H39FN4O8S/c1-19(2)48(43,44)30-11-10-22(38-34(42)47-5)16-25(30)27-7-6-14-39(27)33(41)31(24-17-28(45-3)29(46-4)18-26(24)35)37-21-9-8-20-12-13-36-32(40)23(20)15-21/h8-11,15-19,27,31,37H,6-7,12-14H2,1-5H3,(H,36,40)(H,38,42)/t27-,31-/m1/s1
Affinity DataKi:  130nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50038002(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
Affinity DataKi:  2.40E+5nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50498197(5-CHLOROINDOLE-2-CARBOXYLIC ACID)
Show SMILES OC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
Affinity DataKi:  3.50E+6nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50294169(5-chloro-1H-indole | CHEMBL555013)
Show SMILES Clc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
Affinity DataKi:  4.30E+6nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50498201(CHEMBL3416135)
Show SMILES OC(=O)c1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C9H6ClNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)
Affinity DataKi:  5.70E+6nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM27507(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
Affinity DataKi:  8.00E+6nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50498200(CHEMBL3187395)
Show SMILES Clc1ccc2[nH]nnc2c1
Show InChI InChI=1S/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
Affinity DataKi:  8.70E+6nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50126164(CHEMBL3416132)
Show SMILES Clc1ccc2CCNC(=O)c2c1
Show InChI InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)
Affinity DataKi:  8.90E+6nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50498199(CHEMBL3416131)
Show SMILES COc1cc(Br)ccc1O
Show InChI InChI=1S/C7H7BrO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
Affinity DataKi:  1.30E+7nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM93017(Indole-4-carboxylate)
Show SMILES COC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3
Affinity DataKi:  1.30E+7nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50498198(CHEBI:48220 | DICHLOROBENZYL ALCOHOL | Dichloroben...)
Show SMILES OCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
Affinity DataKi:  1.30E+7nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50498203(CHEMBL3416130)
Show SMILES CC(O)c1cccc2ccccc12
Show InChI InChI=1S/C12H12O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13H,1H3
Affinity DataKi:  1.60E+7nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50498196(CHEMBL3416134)
Show SMILES COc1cc(Cl)ccc1O
Show InChI InChI=1S/C7H7ClO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
Affinity DataKi:  1.60E+7nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50068775(2H-Isoquinolin-1-one | CHEMBL339695 | isoquinolin-...)
Show SMILES O=c1[nH]ccc2ccccc12
Show InChI InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
Affinity DataKi:  1.90E+7nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50106187(Benzenecarboxamide | Benzoic acid amide | Benzoyla...)
Show SMILES NC(=O)c1ccccc1
Show InChI InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
Affinity DataKi:  4.90E+7nMAssay Description:Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair