BDBM50190008 (4R,5R)-5-((S)-hydroxy(5-(phenylsulfonyl)thiophen-2-yl)methyl)-1-methyl-4-phenylpyrrolidin-2-one::CHEMBL384404

SMILES: CN1[C@@H]([C@H](O)c2ccc(s2)S(=O)(=O)c2ccccc2)[C@H](CC1=O)c1ccccc1

InChI Key: InChIKey=HSIRMAVTZOFUEE-ZPMCFJSWSA-N

Data: 3 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 3 hits for monomerid = 50190008   

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
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM50190008 ((4R,5R)-5-((S)-hydroxy(5-(phenylsulfonyl)thiophen-...) Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)S(=O)(=O)c2ccccc2)[C@H](CC1=O)c1ccccc1 Show InChI InChI=1S/C22H21NO4S2/c1-23-19(24)14-17(15-8-4-2-5-9-15)21(23)22(25)18-12-13-20(28-18)29(26,27)16-10-6-3-7-11-16/h2-13,17,21-22,25H,14H2,1H3/t17-,21-,22-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD2				Bioorg Med Chem Lett 16: 4965-8 (2006) Article DOI: 10.1016/j.bmcl.2006.06.041 BindingDB Entry DOI: 10.7270/Q2GB24V1
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM50190008 ((4R,5R)-5-((S)-hydroxy(5-(phenylsulfonyl)thiophen-...) Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)S(=O)(=O)c2ccccc2)[C@H](CC1=O)c1ccccc1 Show InChI InChI=1S/C22H21NO4S2/c1-23-19(24)14-17(15-8-4-2-5-9-15)21(23)22(25)18-12-13-20(28-18)29(26,27)16-10-6-3-7-11-16/h2-13,17,21-22,25H,14H2,1H3/t17-,21-,22-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibition of estradiol to estrone conversion in MG63 cells				Bioorg Med Chem Lett 16: 4965-8 (2006) Article DOI: 10.1016/j.bmcl.2006.06.041 BindingDB Entry DOI: 10.7270/Q2GB24V1
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM50190008 ((4R,5R)-5-((S)-hydroxy(5-(phenylsulfonyl)thiophen-...) Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)S(=O)(=O)c2ccccc2)[C@H](CC1=O)c1ccccc1 Show InChI InChI=1S/C22H21NO4S2/c1-23-19(24)14-17(15-8-4-2-5-9-15)21(23)22(25)18-12-13-20(28-18)29(26,27)16-10-6-3-7-11-16/h2-13,17,21-22,25H,14H2,1H3/t17-,21-,22-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD2				Bioorg Med Chem Lett 16: 4965-8 (2006) Article DOI: 10.1016/j.bmcl.2006.06.041 BindingDB Entry DOI: 10.7270/Q2GB24V1
					More data for this Ligand-Target Pair