BDBM50514897 CHEMBL4558839

SMILES: C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CNCCc23)ccc1Br

InChI Key: InChIKey=AXLVCONFUPWEOK-LBPRGKRZSA-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 = 50514897   

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))	BDBM50514897 (CHEMBL4558839) Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CNCCc23)ccc1Br |r| Show InChI InChI=1S/C18H23BrN6O3S/c1-12-5-7-24(10-12)29(27,28)17-8-13(2-3-14(17)19)21-18(26)11-25-16-4-6-20-9-15(16)22-23-25/h2-3,8,12,20H,4-7,9-11H2,1H3,(H,21,26)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+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
Cat eye syndrome critical region protein 2 (Homo sapiens (Human))	BDBM50514897 (CHEMBL4558839) Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CNCCc23)ccc1Br |r| Show InChI InChI=1S/C18H23BrN6O3S/c1-12-5-7-24(10-12)29(27,28)17-8-13(2-3-14(17)19)21-18(26)11-25-16-4-6-20-9-15(16)22-23-25/h2-3,8,12,20H,4-7,9-11H2,1H3,(H,21,26)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	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
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50514897 (CHEMBL4558839) Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CNCCc23)ccc1Br |r| Show InChI InChI=1S/C18H23BrN6O3S/c1-12-5-7-24(10-12)29(27,28)17-8-13(2-3-14(17)19)21-18(26)11-25-16-4-6-20-9-15(16)22-23-25/h2-3,8,12,20H,4-7,9-11H2,1H3,(H,21,26)/t12-/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	2.51E+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