Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50030265 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Coagulation factor X
(Homo sapiens (Human)) | BDBM50293389
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier 1
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrometry |
Bioorg Med Chem Lett 19: 1386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50293387
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier 1
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrometry |
Bioorg Med Chem Lett 19: 1386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50293384
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier 1
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrometry |
Bioorg Med Chem Lett 19: 1386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50293391
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier 1
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrometry |
Bioorg Med Chem Lett 19: 1386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50293390
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier 1
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrometry |
Bioorg Med Chem Lett 19: 1386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50293388
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier 1
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrometry |
Bioorg Med Chem Lett 19: 1386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50293386
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier 1
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrometry |
Bioorg Med Chem Lett 19: 1386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50293385
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier 1
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrometry |
Bioorg Med Chem Lett 19: 1386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50293383
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier 1
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrometry |
Bioorg Med Chem Lett 19: 1386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50293382
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier 1
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrometry |
Bioorg Med Chem Lett 19: 1386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50293379
((R)-N-(4-carbamimidoylbenzyl)-2-(4-oxo-3-(phenylme...)Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccccc3SC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C26H27N5O4S2/c27-25(28)20-12-10-18(11-13-20)14-29-24(32)15-31-22-8-4-5-9-23(22)36-16-21(26(31)33)30-37(34,35)17-19-6-2-1-3-7-19/h1-13,21,30H,14-17H2,(H3,27,28)(H,29,32)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier 1
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrometry |
Bioorg Med Chem Lett 19: 1386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB |
More data for this
Ligand-Target Pair | |
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