BDBM50465544 CHEMBL4285802

SMILES: CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5)cc4)cc3)c(=O)[nH]c(=O)c12

InChI Key: InChIKey=SHKXMGOCDWRDSI-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 50465544   

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))	BDBM50465544 (CHEMBL4285802) Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5)cc4)cc3)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C27H25N5O5S/c1-2-31-18-28-25-24(31)26(33)30-27(34)32(25)17-20-10-8-19(9-11-20)16-29-38(35,36)23-14-12-22(13-15-23)37-21-6-4-3-5-7-21/h3-15,18,29H,2,16-17H2,1H3,(H,30,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Aix-Marseille University Curated by ChEMBL					Assay Description Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...				J Med Chem 61: 5719-5732 (2018) Article DOI: 10.1021/acs.jmedchem.8b00653 BindingDB Entry DOI: 10.7270/Q2Q52S95
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50465544 (CHEMBL4285802) Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5)cc4)cc3)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C27H25N5O5S/c1-2-31-18-28-25-24(31)26(33)30-27(34)32(25)17-20-10-8-19(9-11-20)16-29-38(35,36)23-14-12-22(13-15-23)37-21-6-4-3-5-7-21/h3-15,18,29H,2,16-17H2,1H3,(H,30,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a
Aix-Marseille University Curated by ChEMBL					Assay Description Binding affinity to TEV cleavage site-fused-His-tagged BRD4(BD1) (unknown origin) by isothermal-titration calorimetry				J Med Chem 61: 5719-5732 (2018) Article DOI: 10.1021/acs.jmedchem.8b00653 BindingDB Entry DOI: 10.7270/Q2Q52S95
					More data for this Ligand-Target Pair