BDBM50340424 (1S,2S)-pivaloyloxymethyl 2-((3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)piperidine-3-carboxamido)methyl)-5-(3-methoxypropyl)phenoxy)methyl)cyclopropanecarboxylate::CHEMBL1761528

SMILES: COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OC[C@H]2C[C@@H]2C(=O)OCOC(=O)C(C)(C)C)c1

InChI Key: InChIKey=BZIGSAFUTSBRPH-JBFXZEHDSA-N

Data: 1 KI

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 = 50340424   

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))	BDBM50340424 ((1S,2S)-pivaloyloxymethyl 2-((3-(((3R,4S)-N-cyclop...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OC[C@H]2C[C@@H]2C(=O)OCOC(=O)C(C)(C)C)c1 |r| Show InChI InChI=1S/C46H58Cl2N2O9/c1-29-19-40(47)42(41(48)20-29)56-18-17-55-35-12-8-32(9-13-35)37-14-15-49-25-39(37)43(51)50(34-10-11-34)26-31-21-30(7-6-16-54-5)22-36(23-31)57-27-33-24-38(33)44(52)58-28-59-45(53)46(2,3)4/h8-9,12-13,19-23,33-34,37-39,49H,6-7,10-11,14-18,24-28H2,1-5H3/t33-,37-,38+,39+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 21: 2430-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.067 BindingDB Entry DOI: 10.7270/Q2G16157
					More data for this Ligand-Target Pair