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BDBM50374343 CHEMBL270225

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#7]-2-[#6]-[#6][C@@]([#7])([#6]-c3ccccc3)[#6](=O)-[#7]-1-2)-[#6](=O)-c1nc2ccccc2s1

InChI Key: InChIKey=XZWDCQQEBVTPIG-YHGPEZAFSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50374343   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50374343
PNG
(CHEMBL270225)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#7]-2-[#6]-[#6][C@@]([#7])([#6]-c3ccccc3)[#6](=O)-[#7]-1-2)-[#6](=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C28H34N8O3S/c29-27(30)32-14-6-10-20(23(37)25-34-19-9-4-5-11-22(19)40-25)33-24(38)21-12-15-35-16-13-28(31,26(39)36(21)35)17-18-7-2-1-3-8-18/h1-5,7-9,11,20-21H,6,10,12-17,31H2,(H,33,38)(H4,29,30,32)/t20-,21-,28+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.650n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin

Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair