BDBM50333712 (S)-tert-butyl 2-(3,5-dimethylphenyl)-5-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3-(1-hydroxypropan-2-yl)-1H-indole-1-carboxylate::CHEMBL1643713

SMILES: CCOC(=O)C(C)(C)c1ccc2n(C(=O)OC(C)(C)C)c(c([C@H](C)CO)c2c1)-c1cc(C)cc(C)c1

InChI Key: InChIKey=TYGGJSPSDQOABJ-HXUWFJFHSA-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 = 50333712   

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
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM50333712 ((S)-tert-butyl 2-(3,5-dimethylphenyl)-5-(1-ethoxy-...) Show SMILES CCOC(=O)C(C)(C)c1ccc2n(C(=O)OC(C)(C)C)c(c([C@H](C)CO)c2c1)-c1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C30H39NO5/c1-10-35-27(33)30(8,9)22-11-12-24-23(16-22)25(20(4)17-32)26(21-14-18(2)13-19(3)15-21)31(24)28(34)36-29(5,6)7/h11-16,20,32H,10,17H2,1-9H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Blockade of Cav2.2 channel by fluorescent calcium-influx assay				Bioorg Med Chem Lett 21: 869-73 (2011) Article DOI: 10.1016/j.bmcl.2010.11.067 BindingDB Entry DOI: 10.7270/Q2B27VJK
					More data for this Ligand-Target Pair