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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50328730'   
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))
BDBM50328730
PNG
(CHEMBL430037 | N-((3R,4S)-4-(5-chloro-1H-indole-2-...)
Show SMILES CN(C)C(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C25H30ClN7O3S/c1-31(2)25(36)33-9-7-17(28-22(34)19-11-14-10-15(26)4-5-16(14)27-19)20(12-33)29-23(35)24-30-18-6-8-32(3)13-21(18)37-24/h4-5,10-11,17,20,27H,6-9,12-13H2,1-3H3,(H,28,34)(H,29,35)/t17-,20+/m0/s1
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Article
PubMed
n/an/a 8.40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 53: 6243-74 (2010)


Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50328730
PNG
(CHEMBL430037 | N-((3R,4S)-4-(5-chloro-1H-indole-2-...)
Show SMILES CN(C)C(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C25H30ClN7O3S/c1-31(2)25(36)33-9-7-17(28-22(34)19-11-14-10-15(26)4-5-16(14)27-19)20(12-33)29-23(35)24-30-18-6-8-32(3)13-21(18)37-24/h4-5,10-11,17,20,27H,6-9,12-13H2,1-3H3,(H,28,34)(H,29,35)/t17-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 8.40n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 782-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.037
BindingDB Entry DOI: 10.7270/Q20P10WJ
More data for this
Ligand-Target Pair