BindingDB logo
myBDB logout

PubMed code 11087565

Compile data set for download or QSAR
Found 86 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))		BDBM50094092
PNG
(CHEMBL336661 | N-(3-Bromo-2'-sulfamoyl-biphenyl-4-...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3Br)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H20BrN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.320n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094100
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-iodo-2'-sul...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3I)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H20IN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.600n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094096
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-chloro-2'-s...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3Cl)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H20ClN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.700n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094096
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-chloro-2'-s...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3Cl)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H20ClN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.790n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against Coagulation factor X from rabbit purified enzyme

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094092
PNG
(CHEMBL336661 | N-(3-Bromo-2'-sulfamoyl-biphenyl-4-...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3Br)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H20BrN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.900n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against Coagulation factor X from rabbit purified enzyme

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094115
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-[5-(2-sulfamoy...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cn3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H20N6O3S/c23-22(24)13-5-7-18-17(9-13)15(12-26-18)10-21(29)28-20-8-6-14(11-27-20)16-3-1-2-4-19(16)32(25,30)31/h1-9,11-12,26H,10H2,(H3,23,24)(H2,25,30,31)(H,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.920n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094115
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-[5-(2-sulfamoy...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cn3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H20N6O3S/c23-22(24)13-5-7-18-17(9-13)15(12-26-18)10-21(29)28-20-8-6-14(11-27-20)16-3-1-2-4-19(16)32(25,30)31/h1-9,11-12,26H,10H2,(H3,23,24)(H2,25,30,31)(H,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.920n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094115
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-[5-(2-sulfamoy...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cn3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H20N6O3S/c23-22(24)13-5-7-18-17(9-13)15(12-26-18)10-21(29)28-20-8-6-14(11-27-20)16-3-1-2-4-19(16)32(25,30)31/h1-9,11-12,26H,10H2,(H3,23,24)(H2,25,30,31)(H,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.930n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against Coagulation factor X from rabbit purified enzyme

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM12775
PNG
(2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-(2-sulfamoy...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H21N5O3S/c24-23(25)15-7-10-20-19(11-15)16(13-27-20)12-22(29)28-17-8-5-14(6-9-17)18-3-1-2-4-21(18)32(26,30)31/h1-11,13,27H,12H2,(H3,24,25)(H,28,29)(H2,26,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 2.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094102
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-methyl-2'-s...)
Show SMILES Cc1cc(ccc1NC(=O)Cc1c[nH]c2ccc(cc12)C(N)=N)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H23N5O3S/c1-14-10-15(18-4-2-3-5-22(18)33(27,31)32)6-8-20(14)29-23(30)12-17-13-28-21-9-7-16(24(25)26)11-19(17)21/h2-11,13,28H,12H2,1H3,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.30n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094114
PNG
(2-(6-Carbamimidoyl-benzoimidazol-1-yl)-N-(2'-sulfa...)
Show SMILES NC(=N)c1ccc2ncn(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H20N6O3S/c23-22(24)15-7-10-18-19(11-15)28(13-26-18)12-21(29)27-16-8-5-14(6-9-16)17-3-1-2-4-20(17)32(25,30)31/h1-11,13H,12H2,(H3,23,24)(H,27,29)(H2,25,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.40n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094094
PNG
(2-(6-Carbamimidoyl-indazol-1-yl)-N-[5-(2-sulfamoyl...)
Show SMILES NC(=N)c1ccc2cnn(CC(=O)Nc3ccc(cn3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C21H19N7O3S/c22-21(23)13-5-6-15-11-26-28(17(15)9-13)12-20(29)27-19-8-7-14(10-25-19)16-3-1-2-4-18(16)32(24,30)31/h1-11H,12H2,(H3,22,23)(H2,24,30,31)(H,25,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 3.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094097
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-fluoro-2'-s...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3F)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H20FN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094091
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(2'-methylsulf...)
Show SMILES CNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(cc23)C(N)=N)cc1
Show InChI InChI=1S/C24H23N5O3S/c1-27-33(31,32)22-5-3-2-4-19(22)15-6-9-18(10-7-15)29-23(30)13-17-14-28-21-11-8-16(24(25)26)12-20(17)21/h2-12,14,27-28H,13H2,1H3,(H3,25,26)(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.40n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094113
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(2'-ethylsulfa...)
Show SMILES CCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(cc23)C(N)=N)cc1
Show InChI InChI=1S/C25H25N5O3S/c1-2-29-34(32,33)23-6-4-3-5-20(23)16-7-10-19(11-8-16)30-24(31)14-18-15-28-22-12-9-17(25(26)27)13-21(18)22/h3-13,15,28-29H,2,14H2,1H3,(H3,26,27)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM12775
PNG
(2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-(2-sulfamoy...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H21N5O3S/c24-23(25)15-7-10-20-19(11-15)16(13-27-20)12-22(29)28-17-8-5-14(6-9-17)18-3-1-2-4-21(18)32(26,30)31/h1-11,13,27H,12H2,(H3,24,25)(H,28,29)(H2,26,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 6n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against fXa from rabbit purified enzyme

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50072445
PNG
(CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...)
Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:7|
Show InChI InChI=1S/C26H25N5O6S/c1-36-23(32)15-26(14-21(31-37-26)17-5-4-6-18(13-17)24(27)28)25(33)30-19-11-9-16(10-12-19)20-7-2-3-8-22(20)38(29,34)35/h2-13H,14-15H2,1H3,(H3,27,28)(H,30,33)(H2,29,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 6.30n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094093
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(2'-dimethylsu...)
Show SMILES CN(C)S(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(cc23)C(N)=N)cc1
Show InChI InChI=1S/C25H25N5O3S/c1-30(2)34(32,33)23-6-4-3-5-20(23)16-7-10-19(11-8-16)29-24(31)14-18-15-28-22-12-9-17(25(26)27)13-21(18)22/h3-13,15,28H,14H2,1-2H3,(H3,26,27)(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 7n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094104
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(2'-propylsulf...)
Show SMILES CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(cc23)C(N)=N)cc1
Show InChI InChI=1S/C26H27N5O3S/c1-2-13-30-35(33,34)24-6-4-3-5-21(24)17-7-10-20(11-8-17)31-25(32)15-19-16-29-23-12-9-18(26(27)28)14-22(19)23/h3-12,14,16,29-30H,2,13,15H2,1H3,(H3,27,28)(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 8n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094094
PNG
(2-(6-Carbamimidoyl-indazol-1-yl)-N-[5-(2-sulfamoyl...)
Show SMILES NC(=N)c1ccc2cnn(CC(=O)Nc3ccc(cn3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C21H19N7O3S/c22-21(23)13-5-6-15-11-26-28(17(15)9-13)12-20(29)27-19-8-7-14(10-25-19)16-3-1-2-4-18(16)32(24,30)31/h1-11H,12H2,(H3,22,23)(H2,24,30,31)(H,25,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 41n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094109
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-methyl-N-(2'-s...)
Show SMILES CN(C(=O)Cc1c[nH]c2ccc(cc12)C(N)=N)c1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H23N5O3S/c1-29(23(30)13-17-14-28-21-11-8-16(24(25)26)12-20(17)21)18-9-6-15(7-10-18)19-4-2-3-5-22(19)33(27,31)32/h2-12,14,28H,13H2,1H3,(H3,25,26)(H2,27,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 41n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094114
PNG
(2-(6-Carbamimidoyl-benzoimidazol-1-yl)-N-(2'-sulfa...)
Show SMILES NC(=N)c1ccc2ncn(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H20N6O3S/c23-22(24)15-7-10-18-19(11-15)28(13-26-18)12-21(29)27-16-8-5-14(6-9-16)17-3-1-2-4-20(17)32(25,30)31/h1-11,13H,12H2,(H3,23,24)(H,27,29)(H2,25,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 47n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094090
PNG
(2-(5-Carbamimidoyl-2,3-dihydro-1H-indol-3-yl)-N-(2...)
Show SMILES NC(=N)c1ccc2NCC(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H23N5O3S/c24-23(25)15-7-10-20-19(11-15)16(13-27-20)12-22(29)28-17-8-5-14(6-9-17)18-3-1-2-4-21(18)32(26,30)31/h1-11,16,27H,12-13H2,(H3,24,25)(H,28,29)(H2,26,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 52n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094090
PNG
(2-(5-Carbamimidoyl-2,3-dihydro-1H-indol-3-yl)-N-(2...)
Show SMILES NC(=N)c1ccc2NCC(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H23N5O3S/c24-23(25)15-7-10-20-19(11-15)16(13-27-20)12-22(29)28-17-8-5-14(6-9-17)18-3-1-2-4-21(18)32(26,30)31/h1-11,16,27H,12-13H2,(H3,24,25)(H,28,29)(H2,26,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 52n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094110
PNG
(2-(5-Carbamimidoyl-1-methyl-1H-indol-3-yl)-N-[5-(2...)
Show SMILES Cn1cc(CC(=O)Nc2ccc(cn2)-c2ccccc2S(N)(=O)=O)c2cc(ccc12)C(N)=N
Show InChI InChI=1S/C23H22N6O3S/c1-29-13-16(18-10-14(23(24)25)6-8-19(18)29)11-22(30)28-21-9-7-15(12-27-21)17-4-2-3-5-20(17)33(26,31)32/h2-10,12-13H,11H2,1H3,(H3,24,25)(H2,26,31,32)(H,27,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 89n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094098
PNG
(CHEMBL139124 | [3-(3-Carbamimidoyl-phenyl)-5-(4-ca...)
Show SMILES CCOC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)C(N)=N |c:8|
Show InChI InChI=1S/C22H24N6O4/c1-2-31-18(29)12-22(21(30)27-16-8-6-13(7-9-16)19(23)24)11-17(28-32-22)14-4-3-5-15(10-14)20(25)26/h3-10H,2,11-12H2,1H3,(H3,23,24)(H3,25,26)(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 94n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094108
PNG
(3-(2-Biphenyl-4-yl-2-oxo-ethyl)-3H-benzoimidazole-...)
Show SMILES NC(=N)c1ccc2ncn(CC(=O)c3ccc(cc3)-c3ccccc3)c2c1
Show InChI InChI=1S/C22H18N4O/c23-22(24)18-10-11-19-20(12-18)26(14-25-19)13-21(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14H,13H2,(H3,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 120n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094092
PNG
(CHEMBL336661 | N-(3-Bromo-2'-sulfamoyl-biphenyl-4-...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3Br)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H20BrN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 120n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094091
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(2'-methylsulf...)
Show SMILES CNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(cc23)C(N)=N)cc1
Show InChI InChI=1S/C24H23N5O3S/c1-27-33(31,32)22-5-3-2-4-19(22)15-6-9-18(10-7-15)29-23(30)13-17-14-28-21-11-8-16(24(25)26)12-20(17)21/h2-12,14,27-28H,13H2,1H3,(H3,25,26)(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 120n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094105
PNG
(2-(5-Carbamimidoyl-benzoimidazol-1-yl)-N-(2'-sulfa...)
Show SMILES NC(=N)c1ccc2n(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)cnc2c1
Show InChI InChI=1S/C22H20N6O3S/c23-22(24)15-7-10-19-18(11-15)26-13-28(19)12-21(29)27-16-8-5-14(6-9-16)17-3-1-2-4-20(17)32(25,30)31/h1-11,13H,12H2,(H3,23,24)(H,27,29)(H2,25,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 130n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094099
PNG
(2-(5-Carbamimidoyl-benzoimidazol-1-ylmethyl)-4-(3-...)
Show SMILES CCOC(=O)C(CCc1cccc(c1)C(N)=N)Cn1cnc2cc(ccc12)C(N)=N
Show InChI InChI=1S/C22H26N6O2/c1-2-30-22(29)17(7-6-14-4-3-5-15(10-14)20(23)24)12-28-13-27-18-11-16(21(25)26)8-9-19(18)28/h3-5,8-11,13,17H,2,6-7,12H2,1H3,(H3,23,24)(H3,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 140n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094096
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-chloro-2'-s...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3Cl)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H20ClN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 140n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094115
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-[5-(2-sulfamoy...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cn3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H20N6O3S/c23-22(24)13-5-7-18-17(9-13)15(12-26-18)10-21(29)28-20-8-6-14(11-27-20)16-3-1-2-4-19(16)32(25,30)31/h1-9,11-12,26H,10H2,(H3,23,24)(H2,25,30,31)(H,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 150n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM12775
PNG
(2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-(2-sulfamoy...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H21N5O3S/c24-23(25)15-7-10-20-19(11-15)16(13-27-20)12-22(29)28-17-8-5-14(6-9-17)18-3-1-2-4-21(18)32(26,30)31/h1-11,13,27H,12H2,(H3,24,25)(H,28,29)(H2,26,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 160n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094113
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(2'-ethylsulfa...)
Show SMILES CCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(cc23)C(N)=N)cc1
Show InChI InChI=1S/C25H25N5O3S/c1-2-29-34(32,33)23-6-4-3-5-20(23)16-7-10-19(11-8-16)30-24(31)14-18-15-28-22-12-9-17(25(26)27)13-21(18)22/h3-13,15,28-29H,2,14H2,1H3,(H3,26,27)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 160n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094104
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(2'-propylsulf...)
Show SMILES CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(cc23)C(N)=N)cc1
Show InChI InChI=1S/C26H27N5O3S/c1-2-13-30-35(33,34)24-6-4-3-5-21(24)17-7-10-20(11-8-17)31-25(32)15-19-16-29-23-12-9-18(26(27)28)14-22(19)23/h3-12,14,16,29-30H,2,13,15H2,1H3,(H3,27,28)(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 180n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094092
PNG
(CHEMBL336661 | N-(3-Bromo-2'-sulfamoyl-biphenyl-4-...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3Br)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H20BrN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 200n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094100
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-iodo-2'-sul...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3I)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H20IN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 200n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094099
PNG
(2-(5-Carbamimidoyl-benzoimidazol-1-ylmethyl)-4-(3-...)
Show SMILES CCOC(=O)C(CCc1cccc(c1)C(N)=N)Cn1cnc2cc(ccc12)C(N)=N
Show InChI InChI=1S/C22H26N6O2/c1-2-30-22(29)17(7-6-14-4-3-5-15(10-14)20(23)24)12-28-13-27-18-11-16(21(25)26)8-9-19(18)28/h3-5,8-11,13,17H,2,6-7,12H2,1H3,(H3,23,24)(H3,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 220n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094111
PNG
(CHEMBL343827 | N-Biphenyl-4-yl-2-(6-carbamimidoyl-...)
Show SMILES NC(=N)c1ccc2ncn(CC(=O)Nc3ccc(cc3)-c3ccccc3)c2c1
Show InChI InChI=1S/C22H19N5O/c23-22(24)17-8-11-19-20(12-17)27(14-25-19)13-21(28)26-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12,14H,13H2,(H3,23,24)(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 220n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094100
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-iodo-2'-sul...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3I)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H20IN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 240n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094101
PNG
(3-[2-Oxo-2-(2'-sulfamoyl-biphenyl-4-yl)-ethyl]-3H-...)
Show SMILES NC(=N)c1ccc2ncn(CC(=O)c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H19N5O3S/c23-22(24)16-9-10-18-19(11-16)27(13-26-18)12-20(28)15-7-5-14(6-8-15)17-3-1-2-4-21(17)31(25,29)30/h1-11,13H,12H2,(H3,23,24)(H2,25,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 240n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094097
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-fluoro-2'-s...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3F)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H20FN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 270n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094101
PNG
(3-[2-Oxo-2-(2'-sulfamoyl-biphenyl-4-yl)-ethyl]-3H-...)
Show SMILES NC(=N)c1ccc2ncn(CC(=O)c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H19N5O3S/c23-22(24)16-9-10-18-19(11-16)27(13-26-18)12-20(28)15-7-5-14(6-8-15)17-3-1-2-4-21(17)31(25,29)30/h1-11,13H,12H2,(H3,23,24)(H2,25,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 300n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094108
PNG
(3-(2-Biphenyl-4-yl-2-oxo-ethyl)-3H-benzoimidazole-...)
Show SMILES NC(=N)c1ccc2ncn(CC(=O)c3ccc(cc3)-c3ccccc3)c2c1
Show InChI InChI=1S/C22H18N4O/c23-22(24)18-10-11-19-20(12-18)26(14-25-19)13-21(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14H,13H2,(H3,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 320n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094102
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-methyl-2'-s...)
Show SMILES Cc1cc(ccc1NC(=O)Cc1c[nH]c2ccc(cc12)C(N)=N)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H23N5O3S/c1-14-10-15(18-4-2-3-5-22(18)33(27,31)32)6-8-20(14)29-23(30)12-17-13-28-21-9-7-16(24(25)26)11-19(17)21/h2-11,13,28H,12H2,1H3,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 340n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094093
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(2'-dimethylsu...)
Show SMILES CN(C)S(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(cc23)C(N)=N)cc1
Show InChI InChI=1S/C25H25N5O3S/c1-30(2)34(32,33)23-6-4-3-5-20(23)16-7-10-19(11-8-16)29-24(31)14-18-15-28-22-12-9-17(25(26)27)13-21(18)22/h3-13,15,28H,14H2,1-2H3,(H3,26,27)(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 390n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094105
PNG
(2-(5-Carbamimidoyl-benzoimidazol-1-yl)-N-(2'-sulfa...)
Show SMILES NC(=N)c1ccc2n(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)cnc2c1
Show InChI InChI=1S/C22H20N6O3S/c23-22(24)15-7-10-19-18(11-15)26-13-28(19)12-21(29)27-16-8-5-14(6-9-16)17-3-1-2-4-20(17)32(25,30)31/h1-11,13H,12H2,(H3,23,24)(H,27,29)(H2,25,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 400n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094104
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(2'-propylsulf...)
Show SMILES CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(cc23)C(N)=N)cc1
Show InChI InChI=1S/C26H27N5O3S/c1-2-13-30-35(33,34)24-6-4-3-5-21(24)17-7-10-20(11-8-17)31-25(32)15-19-16-29-23-12-9-18(26(27)28)14-22(19)23/h3-12,14,16,29-30H,2,13,15H2,1H3,(H3,27,28)(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 400n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094090
PNG
(2-(5-Carbamimidoyl-2,3-dihydro-1H-indol-3-yl)-N-(2...)
Show SMILES NC(=N)c1ccc2NCC(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H23N5O3S/c24-23(25)15-7-10-20-19(11-15)16(13-27-20)12-22(29)28-17-8-5-14(6-9-17)18-3-1-2-4-21(18)32(26,30)31/h1-11,16,27H,12-13H2,(H3,24,25)(H,28,29)(H2,26,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 400n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094090
PNG
(2-(5-Carbamimidoyl-2,3-dihydro-1H-indol-3-yl)-N-(2...)
Show SMILES NC(=N)c1ccc2NCC(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H23N5O3S/c24-23(25)15-7-10-20-19(11-15)16(13-27-20)12-22(29)28-17-8-5-14(6-9-17)18-3-1-2-4-21(18)32(26,30)31/h1-11,16,27H,12-13H2,(H3,24,25)(H,28,29)(H2,26,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 400n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094111
PNG
(CHEMBL343827 | N-Biphenyl-4-yl-2-(6-carbamimidoyl-...)
Show SMILES NC(=N)c1ccc2ncn(CC(=O)Nc3ccc(cc3)-c3ccccc3)c2c1
Show InChI InChI=1S/C22H19N5O/c23-22(24)17-8-11-19-20(12-17)27(14-25-19)13-21(28)26-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12,14H,13H2,(H3,23,24)(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 480n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094096
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-chloro-2'-s...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3Cl)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H20ClN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 500n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094109
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-methyl-N-(2'-s...)
Show SMILES CN(C(=O)Cc1c[nH]c2ccc(cc12)C(N)=N)c1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H23N5O3S/c1-29(23(30)13-17-14-28-21-11-8-16(24(25)26)12-20(17)21)18-9-6-15(7-10-18)19-4-2-3-5-22(19)33(27,31)32/h2-12,14,28H,13H2,1H3,(H3,25,26)(H2,27,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 600n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094112
PNG
(2-(6-Carbamimidoyl-benzoimidazol-1-ylmethyl)-4-(3-...)
Show SMILES CCOC(=O)C(CCc1cccc(c1)C(N)=N)Cn1cnc2ccc(cc12)C(N)=N
Show InChI InChI=1S/C22H26N6O2/c1-2-30-22(29)17(7-6-14-4-3-5-15(10-14)20(23)24)12-28-13-27-18-9-8-16(21(25)26)11-19(18)28/h3-5,8-11,13,17H,2,6-7,12H2,1H3,(H3,23,24)(H3,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 700n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094113
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(2'-ethylsulfa...)
Show SMILES CCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(cc23)C(N)=N)cc1
Show InChI InChI=1S/C25H25N5O3S/c1-2-29-34(32,33)23-6-4-3-5-20(23)16-7-10-19(11-8-16)30-24(31)14-18-15-28-22-12-9-17(25(26)27)13-21(18)22/h3-13,15,28-29H,2,14H2,1H3,(H3,26,27)(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 800n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094112
PNG
(2-(6-Carbamimidoyl-benzoimidazol-1-ylmethyl)-4-(3-...)
Show SMILES CCOC(=O)C(CCc1cccc(c1)C(N)=N)Cn1cnc2ccc(cc12)C(N)=N
Show InChI InChI=1S/C22H26N6O2/c1-2-30-22(29)17(7-6-14-4-3-5-15(10-14)20(23)24)12-28-13-27-18-9-8-16(21(25)26)11-19(18)28/h3-5,8-11,13,17H,2,6-7,12H2,1H3,(H3,23,24)(H3,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 820n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094091
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(2'-methylsulf...)
Show SMILES CNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(cc23)C(N)=N)cc1
Show InChI InChI=1S/C24H23N5O3S/c1-27-33(31,32)22-5-3-2-4-19(22)15-6-9-18(10-7-15)29-23(30)13-17-14-28-21-11-8-16(24(25)26)12-20(17)21/h2-12,14,27-28H,13H2,1H3,(H3,25,26)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 900n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094102
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-methyl-2'-s...)
Show SMILES Cc1cc(ccc1NC(=O)Cc1c[nH]c2ccc(cc12)C(N)=N)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H23N5O3S/c1-14-10-15(18-4-2-3-5-22(18)33(27,31)32)6-8-20(14)29-23(30)12-17-13-28-21-9-7-16(24(25)26)11-19(17)21/h2-11,13,28H,12H2,1H3,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.00E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094108
PNG
(3-(2-Biphenyl-4-yl-2-oxo-ethyl)-3H-benzoimidazole-...)
Show SMILES NC(=N)c1ccc2ncn(CC(=O)c3ccc(cc3)-c3ccccc3)c2c1
Show InChI InChI=1S/C22H18N4O/c23-22(24)18-10-11-19-20(12-18)26(14-25-19)13-21(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14H,13H2,(H3,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.20E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094110
PNG
(2-(5-Carbamimidoyl-1-methyl-1H-indol-3-yl)-N-[5-(2...)
Show SMILES Cn1cc(CC(=O)Nc2ccc(cn2)-c2ccccc2S(N)(=O)=O)c2cc(ccc12)C(N)=N
Show InChI InChI=1S/C23H22N6O3S/c1-29-13-16(18-10-14(23(24)25)6-8-19(18)29)11-22(30)28-21-9-7-15(12-27-21)17-4-2-3-5-20(17)33(26,31)32/h2-10,12-13H,11H2,1H3,(H3,24,25)(H2,26,31,32)(H,27,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.50E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM12775
PNG
(2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-(2-sulfamoy...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H21N5O3S/c24-23(25)15-7-10-20-19(11-15)16(13-27-20)12-22(29)28-17-8-5-14(6-9-17)18-3-1-2-4-21(18)32(26,30)31/h1-11,13,27H,12H2,(H3,24,25)(H,28,29)(H2,26,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 1.60E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM12775
PNG
(2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-(2-sulfamoy...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H21N5O3S/c24-23(25)15-7-10-20-19(11-15)16(13-27-20)12-22(29)28-17-8-5-14(6-9-17)18-3-1-2-4-21(18)32(26,30)31/h1-11,13,27H,12H2,(H3,24,25)(H,28,29)(H2,26,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 1.60E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094093
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(2'-dimethylsu...)
Show SMILES CN(C)S(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(cc23)C(N)=N)cc1
Show InChI InChI=1S/C25H25N5O3S/c1-30(2)34(32,33)23-6-4-3-5-20(23)16-7-10-19(11-8-16)29-24(31)14-18-15-28-22-12-9-17(25(26)27)13-21(18)22/h3-13,15,28H,14H2,1-2H3,(H3,26,27)(H,29,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.70E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094112
PNG
(2-(6-Carbamimidoyl-benzoimidazol-1-ylmethyl)-4-(3-...)
Show SMILES CCOC(=O)C(CCc1cccc(c1)C(N)=N)Cn1cnc2ccc(cc12)C(N)=N
Show InChI InChI=1S/C22H26N6O2/c1-2-30-22(29)17(7-6-14-4-3-5-15(10-14)20(23)24)12-28-13-27-18-9-8-16(21(25)26)11-19(18)28/h3-5,8-11,13,17H,2,6-7,12H2,1H3,(H3,23,24)(H3,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.90E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094099
PNG
(2-(5-Carbamimidoyl-benzoimidazol-1-ylmethyl)-4-(3-...)
Show SMILES CCOC(=O)C(CCc1cccc(c1)C(N)=N)Cn1cnc2cc(ccc12)C(N)=N
Show InChI InChI=1S/C22H26N6O2/c1-2-30-22(29)17(7-6-14-4-3-5-15(10-14)20(23)24)12-28-13-27-18-11-16(21(25)26)8-9-19(18)28/h3-5,8-11,13,17H,2,6-7,12H2,1H3,(H3,23,24)(H3,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.00E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094097
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-fluoro-2'-s...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3F)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H20FN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.10E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094115
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-[5-(2-sulfamoy...)
Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cn3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H20N6O3S/c23-22(24)13-5-7-18-17(9-13)15(12-26-18)10-21(29)28-20-8-6-14(11-27-20)16-3-1-2-4-19(16)32(25,30)31/h1-9,11-12,26H,10H2,(H3,23,24)(H2,25,30,31)(H,27,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.10E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094114
PNG
(2-(6-Carbamimidoyl-benzoimidazol-1-yl)-N-(2'-sulfa...)
Show SMILES NC(=N)c1ccc2ncn(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H20N6O3S/c23-22(24)15-7-10-18-19(11-15)28(13-26-18)12-21(29)27-16-8-5-14(6-9-16)17-3-1-2-4-20(17)32(25,30)31/h1-11,13H,12H2,(H3,23,24)(H,27,29)(H2,25,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.20E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094106
PNG
(2-(5-Carbamimidoyl-benzoimidazol-1-ylmethyl)-4-(4-...)
Show SMILES CCOC(=O)C(CCc1ccc(cc1)C(N)=N)Cn1cnc2cc(ccc12)C(N)=N
Show InChI InChI=1S/C22H26N6O2/c1-2-30-22(29)17(8-5-14-3-6-15(7-4-14)20(23)24)12-28-13-27-18-11-16(21(25)26)9-10-19(18)28/h3-4,6-7,9-11,13,17H,2,5,8,12H2,1H3,(H3,23,24)(H3,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.20E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50094103
PNG
(CHEMBL141259 | N-Biphenyl-4-yl-2-(5-carbamimidoyl-...)
Show SMILES NC(=N)c1ccc2n(CC(=O)Nc3ccc(cc3)-c3ccccc3)cnc2c1
Show InChI InChI=1S/C22H19N5O/c23-22(24)17-8-11-20-19(12-17)25-14-27(20)13-21(28)26-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12,14H,13H2,(H3,23,24)(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094105
PNG
(2-(5-Carbamimidoyl-benzoimidazol-1-yl)-N-(2'-sulfa...)
Show SMILES NC(=N)c1ccc2n(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)cnc2c1
Show InChI InChI=1S/C22H20N6O3S/c23-22(24)15-7-10-19-18(11-15)26-13-28(19)12-21(29)27-16-8-5-14(6-9-16)17-3-1-2-4-20(17)32(25,30)31/h1-11,13H,12H2,(H3,23,24)(H,27,29)(H2,25,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.70E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094095
PNG
(1-(2-Biphenyl-4-yl-2-oxo-ethyl)-1H-benzoimidazole-...)
Show SMILES NC(=N)c1ccc2n(CC(=O)c3ccc(cc3)-c3ccccc3)cnc2c1
Show InChI InChI=1S/C22H18N4O/c23-22(24)18-10-11-20-19(12-18)25-14-26(20)13-21(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14H,13H2,(H3,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.70E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094101
PNG
(3-[2-Oxo-2-(2'-sulfamoyl-biphenyl-4-yl)-ethyl]-3H-...)
Show SMILES NC(=N)c1ccc2ncn(CC(=O)c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H19N5O3S/c23-22(24)16-9-10-18-19(11-16)27(13-26-18)12-20(28)15-7-5-14(6-8-15)17-3-1-2-4-21(17)31(25,29)30/h1-11,13H,12H2,(H3,23,24)(H2,25,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.80E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094103
PNG
(CHEMBL141259 | N-Biphenyl-4-yl-2-(5-carbamimidoyl-...)
Show SMILES NC(=N)c1ccc2n(CC(=O)Nc3ccc(cc3)-c3ccccc3)cnc2c1
Show InChI InChI=1S/C22H19N5O/c23-22(24)17-8-11-20-19(12-17)25-14-27(20)13-21(28)26-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12,14H,13H2,(H3,23,24)(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.90E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094111
PNG
(CHEMBL343827 | N-Biphenyl-4-yl-2-(6-carbamimidoyl-...)
Show SMILES NC(=N)c1ccc2ncn(CC(=O)Nc3ccc(cc3)-c3ccccc3)c2c1
Show InChI InChI=1S/C22H19N5O/c23-22(24)17-8-11-19-20(12-17)27(14-25-19)13-21(28)26-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12,14H,13H2,(H3,23,24)(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.70E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094094
PNG
(2-(6-Carbamimidoyl-indazol-1-yl)-N-[5-(2-sulfamoyl...)
Show SMILES NC(=N)c1ccc2cnn(CC(=O)Nc3ccc(cn3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C21H19N7O3S/c22-21(23)13-5-6-15-11-26-28(17(15)9-13)12-20(29)27-19-8-7-14(10-25-19)16-3-1-2-4-18(16)32(24,30)31/h1-11H,12H2,(H3,22,23)(H2,24,30,31)(H,25,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 6.80E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50094107
PNG
(2-(6-Carbamimidoyl-benzoimidazol-1-ylmethyl)-4-(4-...)
Show SMILES CCOC(=O)C(CCc1ccc(cc1)C(N)=N)Cn1cnc2ccc(cc12)C(N)=N
Show InChI InChI=1S/C22H26N6O2/c1-2-30-22(29)17(8-5-14-3-6-15(7-4-14)20(23)24)12-28-13-27-18-10-9-16(21(25)26)11-19(18)28/h3-4,6-7,9-11,13,17H,2,5,8,12H2,1H3,(H3,23,24)(H3,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.19E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094103
PNG
(CHEMBL141259 | N-Biphenyl-4-yl-2-(5-carbamimidoyl-...)
Show SMILES NC(=N)c1ccc2n(CC(=O)Nc3ccc(cc3)-c3ccccc3)cnc2c1
Show InChI InChI=1S/C22H19N5O/c23-22(24)17-8-11-20-19(12-17)25-14-27(20)13-21(28)26-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12,14H,13H2,(H3,23,24)(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.25E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094109
PNG
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-methyl-N-(2'-s...)
Show SMILES CN(C(=O)Cc1c[nH]c2ccc(cc12)C(N)=N)c1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H23N5O3S/c1-29(23(30)13-17-14-28-21-11-8-16(24(25)26)12-20(17)21)18-9-6-15(7-10-18)19-4-2-3-5-22(19)33(27,31)32/h2-12,14,28H,13H2,1H3,(H3,25,26)(H2,27,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.40E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094090
PNG
(2-(5-Carbamimidoyl-2,3-dihydro-1H-indol-3-yl)-N-(2...)
Show SMILES NC(=N)c1ccc2NCC(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H23N5O3S/c24-23(25)15-7-10-20-19(11-15)16(13-27-20)12-22(29)28-17-8-5-14(6-9-17)18-3-1-2-4-21(18)32(26,30)31/h1-11,16,27H,12-13H2,(H3,24,25)(H,28,29)(H2,26,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 1.70E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094090
PNG
(2-(5-Carbamimidoyl-2,3-dihydro-1H-indol-3-yl)-N-(2...)
Show SMILES NC(=N)c1ccc2NCC(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H23N5O3S/c24-23(25)15-7-10-20-19(11-15)16(13-27-20)12-22(29)28-17-8-5-14(6-9-17)18-3-1-2-4-21(18)32(26,30)31/h1-11,16,27H,12-13H2,(H3,24,25)(H,28,29)(H2,26,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 1.70E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094095
PNG
(1-(2-Biphenyl-4-yl-2-oxo-ethyl)-1H-benzoimidazole-...)
Show SMILES NC(=N)c1ccc2n(CC(=O)c3ccc(cc3)-c3ccccc3)cnc2c1
Show InChI InChI=1S/C22H18N4O/c23-22(24)18-10-11-20-19(12-18)25-14-26(20)13-21(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14H,13H2,(H3,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>2.10E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094107
PNG
(2-(6-Carbamimidoyl-benzoimidazol-1-ylmethyl)-4-(4-...)
Show SMILES CCOC(=O)C(CCc1ccc(cc1)C(N)=N)Cn1cnc2ccc(cc12)C(N)=N
Show InChI InChI=1S/C22H26N6O2/c1-2-30-22(29)17(8-5-14-3-6-15(7-4-14)20(23)24)12-28-13-27-18-10-9-16(21(25)26)11-19(18)28/h3-4,6-7,9-11,13,17H,2,5,8,12H2,1H3,(H3,23,24)(H3,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>2.10E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094106
PNG
(2-(5-Carbamimidoyl-benzoimidazol-1-ylmethyl)-4-(4-...)
Show SMILES CCOC(=O)C(CCc1ccc(cc1)C(N)=N)Cn1cnc2cc(ccc12)C(N)=N
Show InChI InChI=1S/C22H26N6O2/c1-2-30-22(29)17(8-5-14-3-6-15(7-4-14)20(23)24)12-28-13-27-18-11-16(21(25)26)9-10-19(18)28/h3-4,6-7,9-11,13,17H,2,5,8,12H2,1H3,(H3,23,24)(H3,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>2.10E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50094110
PNG
(2-(5-Carbamimidoyl-1-methyl-1H-indol-3-yl)-N-[5-(2...)
Show SMILES Cn1cc(CC(=O)Nc2ccc(cn2)-c2ccccc2S(N)(=O)=O)c2cc(ccc12)C(N)=N
Show InChI InChI=1S/C23H22N6O3S/c1-29-13-16(18-10-14(23(24)25)6-8-19(18)29)11-22(30)28-21-9-7-15(12-27-21)17-4-2-3-5-20(17)33(26,31)32/h2-10,12-13H,11H2,1H3,(H3,24,25)(H2,26,31,32)(H,27,28,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.10E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

J Med Chem 43: 4398-415 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PP5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%