BDBM50514884 CHEMBL4454864

SMILES: Clc1ccc(NC(=O)CN2CCCC2=O)cc1S(=O)(=O)N1CCCC1

InChI Key: InChIKey=ONBJFQFHNCHNQA-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50514884   

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
Cat eye syndrome critical region protein 2 (Homo sapiens (Human))	BDBM50514884 (CHEMBL4454864) Show SMILES Clc1ccc(NC(=O)CN2CCCC2=O)cc1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C16H20ClN3O4S/c17-13-6-5-12(18-15(21)11-19-7-3-4-16(19)22)10-14(13)25(23,24)20-8-1-2-9-20/h5-6,10H,1-4,7-9,11H2,(H,18,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647-labeled GSK tracer from FLAG-6His-Tev-fused CECR2 (424 to 543 residue) (unknown origin) measured after 15 mins by TR-...				J Med Chem 63: 5212-5241 (2020) Article DOI: 10.1021/acs.jmedchem.0c00021
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50514884 (CHEMBL4454864) Show SMILES Clc1ccc(NC(=O)CN2CCCC2=O)cc1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C16H20ClN3O4S/c17-13-6-5-12(18-15(21)11-19-7-3-4-16(19)22)10-14(13)25(23,24)20-8-1-2-9-20/h5-6,10H,1-4,7-9,11H2,(H,18,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647-labeled ligand from BRD4 BD1 Y390A mutant (1 to 477 residue) (unknown origin) measured after 30 mins by TR-FRET assay				J Med Chem 63: 5212-5241 (2020) Article DOI: 10.1021/acs.jmedchem.0c00021
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50514884 (CHEMBL4454864) Show SMILES Clc1ccc(NC(=O)CN2CCCC2=O)cc1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C16H20ClN3O4S/c17-13-6-5-12(18-15(21)11-19-7-3-4-16(19)22)10-14(13)25(23,24)20-8-1-2-9-20/h5-6,10H,1-4,7-9,11H2,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 488-labeled ligand from FLAG-6His-Tev-fused ATAD2 (981 to 1121 residue) (unknown origin) measured after 30 mins by TR-FRE...				J Med Chem 63: 5212-5241 (2020) Article DOI: 10.1021/acs.jmedchem.0c00021
					More data for this Ligand-Target Pair