BDBM50172112 CHEMBL3809834

SMILES: CC(=O)n1cc(-c2c(C)nn3CCOc23)c2ccccc12

InChI Key: InChIKey=RVHAVBXZRUCGCC-UHFFFAOYSA-N

Data: 1 Kd

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 = 50172112   

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
CREB-binding protein (Homo sapiens (Human))	BDBM50172112 (CHEMBL3809834) Show SMILES CC(=O)n1cc(-c2c(C)nn3CCOc23)c2ccccc12 |(1.43,-3.63,;2.25,-2.7,;3.46,-2.95,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.72,3.06,;4.66,2.25,;3.84,4.61,;2.39,5.19,;1.61,6.51,;.09,6.12,;0,4.59,;1.42,4.01,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,)| Show InChI InChI=1S/C16H15N3O2/c1-10-15(16-19(17-10)7-8-21-16)13-9-18(11(2)20)14-6-4-3-5-12(13)14/h3-6,9H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay				J Med Chem 59: 3087-97 (2016) BindingDB Entry DOI: 10.7270/Q2MP556R
					More data for this Ligand-Target Pair