BDBM50465543 CHEMBL4278778

SMILES: CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc5NC(=O)CCCc5c4)cc3)c(=O)[nH]c(=O)c12

InChI Key: InChIKey=GUZDPSZLHQZPSV-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

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 3 hits for monomerid = 50465543   

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))	BDBM50465543 (CHEMBL4278778) Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc5NC(=O)CCCc5c4)cc3)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C25H26N6O5S/c1-2-30-15-26-23-22(30)24(33)29-25(34)31(23)14-17-8-6-16(7-9-17)13-27-37(35,36)19-10-11-20-18(12-19)4-3-5-21(32)28-20/h6-12,15,27H,2-5,13-14H2,1H3,(H,28,32)(H,29,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	251	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))	BDBM50465543 (CHEMBL4278778) Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc5NC(=O)CCCc5c4)cc3)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C25H26N6O5S/c1-2-30-15-26-23-22(30)24(33)29-25(34)31(23)14-17-8-6-16(7-9-17)13-27-37(35,36)19-10-11-20-18(12-19)4-3-5-21(32)28-20/h6-12,15,27H,2-5,13-14H2,1H3,(H,28,32)(H,29,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	190	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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50465543 (CHEMBL4278778) Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc5NC(=O)CCCc5c4)cc3)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C25H26N6O5S/c1-2-30-15-26-23-22(30)24(33)29-25(34)31(23)14-17-8-6-16(7-9-17)13-27-37(35,36)19-10-11-20-18(12-19)4-3-5-21(32)28-20/h6-12,15,27H,2-5,13-14H2,1H3,(H,28,32)(H,29,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	283	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