BDBM50108100 CHEMBL3601324

SMILES: CC[C@@H](C)Oc1cc2[C@@H](N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)NC(=O)CC)c1ccc(Cl)cc1

InChI Key: InChIKey=CKRMTHWXSWZXBS-NEBSNYDKSA-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 = 50108100   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50108100 (CHEMBL3601324) Show SMILES CC[C@@H](C)Oc1cc2[C@@H](N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)NC(=O)CC)c1ccc(Cl)cc1 |r,wU:2.2,30.36,wD:8.41,27.29,(-5.34,5.09,;-5.34,3.86,;-4.01,3.08,;-2.94,3.7,;-4.01,1.54,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-2.77,;4,1.54,;4,3.08,;5.33,3.85,;6.67,3.07,;6.66,1.53,;5.33,.77,;8,3.84,;8.01,5.07,;9.34,3.07,;10.67,3.83,;12.01,3.06,;13.34,3.83,;13.34,5.37,;12.01,6.14,;10.68,5.37,;14.68,6.13,;16.01,5.36,;16.01,4.13,;17.35,6.12,;18.41,5.5,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;1.32,7.39,;-.01,5.39,;-0,3.85,)| Show InChI InChI=1S/C37H46ClN3O4/c1-6-24(3)45-34-22-32-27(20-33(34)44-5)21-36(43)41(37(32)26-10-12-28(38)13-11-26)31-18-16-30(17-19-31)40(4)23-25-8-14-29(15-9-25)39-35(42)7-2/h10-13,16-20,22,24-25,29,37H,6-9,14-15,21,23H2,1-5H3,(H,39,42)/t24-,25-,29-,37+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human ERG by radioligand binding assay				J Med Chem 58: 6348-58 (2015) BindingDB Entry DOI: 10.7270/Q2HQ41QV
					More data for this Ligand-Target Pair