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BDBM50170632 CHEMBL93647::N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE::N-(4-{5-[(1H-Benzoimidazol-2-ylamino)-methyl]-thiophen-2-yl}-thiazol-2-yl)-guanidine

SMILES: NC(N)=Nc1nc(cs1)-c1ccc(CNc2nc3ccccc3[nH]2)s1

InChI Key: InChIKey=CKJGKHXCUDWFDC-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50170632   
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
Adenosine deaminase


(Homo sapiens (Human))
BDBM50170632
PNG
(CHEMBL93647 | N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMIN...)
Show SMILES NC(N)=Nc1nc(cs1)-c1ccc(CNc2nc3ccccc3[nH]2)s1
Show InChI InChI=1S/C16H15N7S2/c17-14(18)23-16-22-12(8-24-16)13-6-5-9(25-13)7-19-15-20-10-3-1-2-4-11(10)21-15/h1-6,8H,7H2,(H2,19,20,21)(H4,17,18,22,23)
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PC sid
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Similars

MMDB
PDB
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against adenosine deaminase


J Med Chem 48: 4750-3 (2005)


Article DOI: 10.1021/jm050413g
BindingDB Entry DOI: 10.7270/Q2JD4WBG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)