BDBM50520627 CHEMBL4536031

SMILES: COc1cc(Cl)c(cc1-c1ccc(CN[C@H](C)c2ccc(C)cc2)o1)C(=O)N[C@@H](CN[C@@H]1CC[C@H](N)CC1)Cc1ccc(cc1)C#N

InChI Key: InChIKey=BSISGUIVBKDTQO-QIKYYPRYSA-N

Data: 1 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 1 hit for monomerid = 50520627   

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))	BDBM50520627 (CHEMBL4536031) Show SMILES COc1cc(Cl)c(cc1-c1ccc(CN[C@H](C)c2ccc(C)cc2)o1)C(=O)N[C@@H](CN[C@@H]1CC[C@H](N)CC1)Cc1ccc(cc1)C#N |r,wU:31.33,34.37,15.16,wD:28.41,(53.24,-30.34,;54.54,-29.52,;54.48,-27.98,;55.78,-27.15,;55.71,-25.6,;57.01,-24.77,;54.34,-24.9,;53.05,-25.72,;53.11,-27.27,;51.81,-28.09,;51.72,-29.63,;50.23,-30.02,;49.4,-28.72,;47.87,-28.62,;47.01,-29.9,;45.48,-29.81,;44.79,-28.43,;44.62,-31.09,;43.09,-30.98,;42.23,-32.27,;42.92,-33.65,;42.07,-34.93,;44.46,-33.74,;45.31,-32.46,;50.38,-27.53,;54.27,-23.36,;55.57,-22.53,;52.9,-22.65,;52.83,-21.11,;54.13,-20.28,;54.06,-18.74,;55.36,-17.91,;56.72,-18.63,;58.02,-17.8,;57.95,-16.26,;59.25,-15.44,;56.59,-15.55,;55.28,-16.38,;51.47,-20.4,;50.17,-21.23,;48.81,-20.52,;47.51,-21.34,;47.58,-22.88,;48.96,-23.59,;50.25,-22.76,;46.29,-23.72,;44.99,-24.55,)| Show InChI InChI=1S/C38H44ClN5O3/c1-24-4-10-28(11-5-24)25(2)42-23-32-16-17-36(47-32)34-19-33(35(39)20-37(34)46-3)38(45)44-31(18-26-6-8-27(21-40)9-7-26)22-43-30-14-12-29(41)13-15-30/h4-11,16-17,19-20,25,29-31,42-43H,12-15,18,22-23,41H2,1-3H3,(H,44,45)/t25-,29-,30+,31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ATAD2 bromodomain (unknown origin) dimerization				J Med Chem 61: 9004-9029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00378
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