BDBM50256399 CHEMBL4087079

SMILES: Cc1[nH]c(c2CCNC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1

InChI Key: InChIKey=ZGNLBROTMZIJBB-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50256399   

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))	BDBM50256399 (CHEMBL4087079) Show SMILES Cc1[nH]c(c2CCNC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1 Show InChI InChI=1S/C21H21N3O4S/c1-13-19-16(10-11-22-21(19)25)20(23-13)17-12-14(24-29(2,26)27)8-9-18(17)28-15-6-4-3-5-7-15/h3-9,12,23-24H,10-11H2,1-2H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA. Curated by ChEMBL					Assay Description Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay				Bioorg Med Chem Lett 27: 2225-2233 (2017) Article DOI: 10.1016/j.bmcl.2017.02.057 BindingDB Entry DOI: 10.7270/Q20P12FJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50256399 (CHEMBL4087079) Show SMILES Cc1[nH]c(c2CCNC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1 Show InChI InChI=1S/C21H21N3O4S/c1-13-19-16(10-11-22-21(19)25)20(23-13)17-12-14(24-29(2,26)27)8-9-18(17)28-15-6-4-3-5-7-15/h3-9,12,23-24H,10-11H2,1-2H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA. Curated by ChEMBL					Assay Description Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay				Bioorg Med Chem Lett 27: 2225-2233 (2017) Article DOI: 10.1016/j.bmcl.2017.02.057 BindingDB Entry DOI: 10.7270/Q20P12FJ
					More data for this Ligand-Target Pair