BDBM53401 (3R,3aS,7R,7aS)-2-benzyl-3-(3-chloro-4-methoxy-phenyl)-7-ethyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one::(3R,3aS,7R,7aS)-2-benzyl-3-(3-chloro-4-methoxyphenyl)-7-ethyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one::(3R,3aS,7R,7aS)-3-(3-chloranyl-4-methoxy-phenyl)-7-ethyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one::(3R,3aS,7R,7aS)-3-(3-chloro-4-methoxyphenyl)-7-ethyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one::MLS000882828::PiA::SMR000465391::cid_16746348

SMILES: CC[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(OC)c(Cl)c1

InChI Key: InChIKey=FDZQAUSVEAGJOV-FUAMJQMHSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 53401   

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
streptokinase A precursor (Streptococcus pyogenes M1 GAS)	BDBM53401 ((3R,3aS,7R,7aS)-2-benzyl-3-(3-chloro-4-methoxy-phe...) Show SMILES CC[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(OC)c(Cl)c1 |c:4| Show InChI InChI=1S/C24H26ClNO2/c1-3-17-10-7-11-19-22(17)24(27)26(15-16-8-5-4-6-9-16)23(19)18-12-13-21(28-2)20(25)14-18/h4-9,11-14,17,19,22-23H,3,10,15H2,1-2H3/t17-,19+,22+,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.06E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase (Saccharomyces cerevisiae (Baker's yeast))	BDBM53401 ((3R,3aS,7R,7aS)-2-benzyl-3-(3-chloro-4-methoxy-phe...) Show SMILES CC[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(OC)c(Cl)c1 |c:4| Show InChI InChI=1S/C24H26ClNO2/c1-3-17-10-7-11-19-22(17)24(27)26(15-16-8-5-4-6-9-16)23(19)18-12-13-21(28-2)20(25)14-18/h4-9,11-14,17,19,22-23H,3,10,15H2,1-2H3/t17-,19+,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
					More data for this Ligand-Target Pair