null

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

InChI Key: InChIKey=CKJGKHXCUDWFDC-UHFFFAOYSA-N

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)	Ligand	Target/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	pH	Temp °C
Adenosine deaminase (Homo sapiens (Human))	BDBM50170632 (CHEMBL93647 | N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMIN...) Show SMILES NC(N)=Nc1nc(cs1)-c1ccc(CNc2nc3ccccc3[nH]2)s1 |(14.92,-6.19,;13.82,-5.13,;12.34,-5.56,;14.19,-3.64,;13.07,-2.57,;11.56,-2.83,;10.83,-1.48,;11.91,-.36,;13.3,-1.03,;9.32,-1.27,;8.59,.09,;7.08,-.17,;6.87,-1.69,;5.51,-2.41,;4.21,-1.59,;2.85,-2.32,;2.64,-3.86,;1.12,-4.11,;.29,-5.44,;-1.25,-5.37,;-1.98,-4,;-1.14,-2.71,;.38,-2.76,;1.45,-1.64,;8.24,-2.36,)| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)