BDBM50119126 CHEMBL99625::N''-cyano-N-[3-(hydroxymethyl)phenyl]-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]guanidine

SMILES: COc1cc(NC(Nc2cccc(CO)c2)=NC#N)ccc1-c1cnco1

InChI Key: InChIKey=KNKXCJNHNCVVTQ-UHFFFAOYSA-N

Data: 1 IC50

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 = 50119126   

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
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50119126 (CHEMBL99625 | N''-cyano-N-[3-(hydroxymethyl)phenyl...) Show SMILES COc1cc(NC(Nc2cccc(CO)c2)=NC#N)ccc1-c1cnco1 |w:16.17| Show InChI InChI=1S/C19H17N5O3/c1-26-17-8-15(5-6-16(17)18-9-21-12-27-18)24-19(22-11-20)23-14-4-2-3-13(7-14)10-25/h2-9,12,25H,10H2,1H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.				Bioorg Med Chem Lett 12: 2931-4 (2002) BindingDB Entry DOI: 10.7270/Q2SB454K
					More data for this Ligand-Target Pair