BDBM50514879 CHEMBL4461164

SMILES: C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(CCc23)C(C)=O)ccc1Br

InChI Key: InChIKey=ZTDIVGGUCXGNOZ-ZDUSSCGKSA-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 = 50514879   

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
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50514879 (CHEMBL4461164) Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(CCc23)C(C)=O)ccc1Br |r| Show InChI InChI=1S/C20H25BrN6O4S/c1-13-5-8-26(10-13)32(30,31)19-9-15(3-4-16(19)21)22-20(29)12-27-18-6-7-25(14(2)28)11-17(18)23-24-27/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,22,29)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.59E+3	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
Cat eye syndrome critical region protein 2 (Homo sapiens (Human))	BDBM50514879 (CHEMBL4461164) Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(CCc23)C(C)=O)ccc1Br |r| Show InChI InChI=1S/C20H25BrN6O4S/c1-13-5-8-26(10-13)32(30,31)19-9-15(3-4-16(19)21)22-20(29)12-27-18-6-7-25(14(2)28)11-17(18)23-24-27/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,22,29)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	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))	BDBM50514879 (CHEMBL4461164) Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(CCc23)C(C)=O)ccc1Br |r| Show InChI InChI=1S/C20H25BrN6O4S/c1-13-5-8-26(10-13)32(30,31)19-9-15(3-4-16(19)21)22-20(29)12-27-18-6-7-25(14(2)28)11-17(18)23-24-27/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,22,29)/t13-/m0/s1	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