BDBM50420306 CHEMBL2089060

SMILES: O=C(c1ccc[nH]1)c1nc2ccccc2[nH]1

InChI Key: InChIKey=WKGKIJSPPFRZEQ-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 = 50420306   

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
CDK6/CycD3 (Homo sapiens (Human))	BDBM50420306 (CHEMBL2089060) Show SMILES O=C(c1ccc[nH]1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C12H9N3O/c16-11(10-6-3-7-13-10)12-14-8-4-1-2-5-9(8)15-12/h1-7,13H,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 30 mins by ELISA				ACS Med Chem Lett 3: 445-449 (2012) Article DOI: 10.1021/ml200241a BindingDB Entry DOI: 10.7270/Q2P270DJ
					More data for this Ligand-Target Pair				3D Structure (crystal)