BDBM50539805 CHEMBL4644032

SMILES: Cn1cc(-c2cc(c3ccn(c3c2)C(C)(c2ccccn2)c2ccccn2)C(C)(C)O)c2cc[nH]c(=O)c12

InChI Key: InChIKey=NWFSSABGWKHOTN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50539805   

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))	BDBM50539805 (CHEMBL4644032) Show SMILES Cn1cc(-c2cc(c3ccn(c3c2)C(C)(c2ccccn2)c2ccccn2)C(C)(C)O)c2cc[nH]c(=O)c12 Show InChI InChI=1S/C31H29N5O2/c1-30(2,38)24-17-20(23-19-35(4)28-21(23)11-15-34-29(28)37)18-25-22(24)12-16-36(25)31(3,26-9-5-7-13-32-26)27-10-6-8-14-33-27/h5-19,38H,1-4H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 2 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020)
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539805 (CHEMBL4644032) Show SMILES Cn1cc(-c2cc(c3ccn(c3c2)C(C)(c2ccccn2)c2ccccn2)C(C)(C)O)c2cc[nH]c(=O)c12 Show InChI InChI=1S/C31H29N5O2/c1-30(2,38)24-17-20(23-19-35(4)28-21(23)11-15-34-29(28)37)18-25-22(24)12-16-36(25)31(3,26-9-5-7-13-32-26)27-10-6-8-14-33-27/h5-19,38H,1-4H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 1 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020)
					More data for this Ligand-Target Pair