BindingDB logo
myBDB logout

BDBM50130215 CHEMBL3632873

SMILES: [H][C@]12C3CCCN3[C@@H](c3ccc(cc3)C(N)=N)[C@@]1([H])C(=O)N(Cc1ccccc1)[C@@H]2C(C)C

InChI Key: InChIKey=NJCFDWCZYXNKMR-ILBZXIDRSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130215   
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))		BDBM50130215
PNG
(CHEMBL3632873)
Show SMILES [H][C@]12C3CCCN3[C@@H](c3ccc(cc3)C(N)=N)[C@@]1([H])C(=O)N(Cc1ccccc1)[C@@H]2C(C)C |r|
Show InChI InChI=1S/C26H32N4O/c1-16(2)23-21-20-9-6-14-29(20)24(18-10-12-19(13-11-18)25(27)28)22(21)26(31)30(23)15-17-7-4-3-5-8-17/h3-5,7-8,10-13,16,20-24H,6,9,14-15H2,1-2H3,(H3,27,28)/t20?,21-,22-,23+,24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 65n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Thrombin using S-2238 as substrate assessed as release of p-nitroaniline preincubated for 240 secs followed by substrate addition...

J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair