BDBM50340425 (1S,2S)-2-((3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)-1-(((5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy)carbonyl)piperidine-3-carboxamido)methyl)-5-(3-methoxypropyl)phenoxy)methyl)cyclopropanecarboxylic acid::CHEMBL1761529

SMILES: COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CN(CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C(=O)OCc2oc(=O)oc2C)cc(OC[C@H]2C[C@@H]2C(O)=O)c1

InChI Key: InChIKey=BQWHZIJINCMESK-QBXGCOSESA-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 = 50340425   

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))	BDBM50340425 ((1S,2S)-2-((3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CN(CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C(=O)OCc2oc(=O)oc2C)cc(OC[C@H]2C[C@@H]2C(O)=O)c1 |r| Show InChI InChI=1S/C46H52Cl2N2O12/c1-27-17-39(47)42(40(48)18-27)58-16-15-57-34-10-6-31(7-11-34)36-12-13-49(45(54)60-26-41-28(2)61-46(55)62-41)24-38(36)43(51)50(33-8-9-33)23-30-19-29(5-4-14-56-3)20-35(21-30)59-25-32-22-37(32)44(52)53/h6-7,10-11,17-21,32-33,36-38H,4-5,8-9,12-16,22-26H2,1-3H3,(H,52,53)/t32-,36-,37+,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.70E+3	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