BDBM50365263 CHEMBL1958337

SMILES: CN1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c(C)nnc12

InChI Key: InChIKey=UYIVCPRWMLOCSB-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 = 50365263   

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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365263 (CHEMBL1958337) Show SMILES CN1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c(C)nnc12 |t:2| Show InChI InChI=1S/C17H14ClN5/c1-11-19-20-17-22(2)21-16(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)23(11)17/h3-10H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to BRD4-BD1 by isothermal titration calorimetry				Bioorg Med Chem 20: 1878-86 (2012) Article DOI: 10.1016/j.bmc.2011.10.080 BindingDB Entry DOI: 10.7270/Q2NC61PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)