BDBM50520652 CHEMBL4562288

SMILES: Cc1sc-2c(COCc3nnc(C)n-23)c1Cc1ccccc1

InChI Key: InChIKey=QLGVMPYXPORRCO-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50520652   

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))	BDBM50520652 (CHEMBL4562288) Show SMILES Cc1sc-2c(COCc3nnc(C)n-23)c1Cc1ccccc1 Show InChI InChI=1S/C17H17N3OS/c1-11-14(8-13-6-4-3-5-7-13)15-9-21-10-16-19-18-12(2)20(16)17(15)22-11/h3-7H,8-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520652 (CHEMBL4562288) Show SMILES Cc1sc-2c(COCc3nnc(C)n-23)c1Cc1ccccc1 Show InChI InChI=1S/C17H17N3OS/c1-11-14(8-13-6-4-3-5-7-13)15-9-21-10-16-19-18-12(2)20(16)17(15)22-11/h3-7H,8-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506
					More data for this Ligand-Target Pair				3D Structure (crystal)