BindingDB logo
myBDB logout

BDBM50215311 CHEMBL317140

SMILES: COc1ccc(cc1)C1(CNc2ncc(C)n(CC(=O)NCc3ccc4[nH]nc(N)c4c3)c2=O)CC1

InChI Key: InChIKey=AHDXCVMYSDGKJB-UHFFFAOYSA-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 = 50215311   
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))		BDBM50215311
PNG
(CHEMBL317140)
Show SMILES COc1ccc(cc1)C1(CNc2ncc(C)n(CC(=O)NCc3ccc4[nH]nc(N)c4c3)c2=O)CC1
Show InChI InChI=1S/C26H29N7O3/c1-16-12-29-24(30-15-26(9-10-26)18-4-6-19(36-2)7-5-18)25(35)33(16)14-22(34)28-13-17-3-8-21-20(11-17)23(27)32-31-21/h3-8,11-12H,9-10,13-15H2,1-2H3,(H,28,34)(H,29,30)(H3,27,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 9n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate

Bioorg Med Chem Lett 12: 2925-30 (2002)


BindingDB Entry DOI: 10.7270/Q27946WJ
More data for this
Ligand-Target Pair