BDBM50459792 CHEMBL4206032

SMILES: CCOc1ccc(cc1-c1cccc(c1)-c1nn[nH]n1)C(C)=O

InChI Key: InChIKey=XRDCFDYQIVETFM-UHFFFAOYSA-N

Data: 1 IC50  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 2 hits for monomerid = 50459792   

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))	BDBM50459792 (CHEMBL4206032) Show SMILES CCOc1ccc(cc1-c1cccc(c1)-c1nn[nH]n1)C(C)=O Show InChI InChI=1S/C17H16N4O2/c1-3-23-16-8-7-12(11(2)22)10-15(16)13-5-4-6-14(9-13)17-18-20-21-19-17/h4-10H,3H2,1-2H3,(H,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Displacement of Histone H4 peptide (1-21) K5/8/12/16Ac-Biotin from recombinant human N-terminal His-tagged CBP bromodomain expressed in Escherichia c...				ACS Med Chem Lett 9: 929-934 (2018) Article DOI: 10.1021/acsmedchemlett.8b00286 BindingDB Entry DOI: 10.7270/Q2WS8WVM
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50459792 (CHEMBL4206032) Show SMILES CCOc1ccc(cc1-c1cccc(c1)-c1nn[nH]n1)C(C)=O Show InChI InChI=1S/C17H16N4O2/c1-3-23-16-8-7-12(11(2)22)10-15(16)13-5-4-6-14(9-13)17-18-20-21-19-17/h4-10H,3H2,1-2H3,(H,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Displacement of biotinylated acetylated peptide from recombinant human partial length CBP bromodomain (R1081 to G1197 residues) expressed in bacteria...				ACS Med Chem Lett 9: 929-934 (2018) Article DOI: 10.1021/acsmedchemlett.8b00286 BindingDB Entry DOI: 10.7270/Q2WS8WVM
					More data for this Ligand-Target Pair				3D Structure (crystal)