BDBM50251075 CHEMBL4069813

SMILES: Cc1cc(cc(C)c1O)-c1nc2sc3CCCCc3c2c(=O)[nH]1

InChI Key: InChIKey=ICGSKBBQBPYFGC-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 = 50251075   

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))	BDBM50251075 (CHEMBL4069813) Show SMILES Cc1cc(cc(C)c1O)-c1nc2sc3CCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C18H18N2O2S/c1-9-7-11(8-10(2)15(9)21)16-19-17(22)14-12-5-3-4-6-13(12)23-18(14)20-16/h7-8,21H,3-6H2,1-2H3,(H,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of GST-tagged BRD4 bromodomain (unknown origin) using biotinylated histone H4KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50251075 (CHEMBL4069813) Show SMILES Cc1cc(cc(C)c1O)-c1nc2sc3CCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C18H18N2O2S/c1-9-7-11(8-10(2)15(9)21)16-19-17(22)14-12-5-3-4-6-13(12)23-18(14)20-16/h7-8,21H,3-6H2,1-2H3,(H,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...				J Med Chem 60: 9990-10012 (2017) Article DOI: 10.1021/acs.jmedchem.7b00275 BindingDB Entry DOI: 10.7270/Q2M32Z68
					More data for this Ligand-Target Pair