BDBM50188388 (R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6,6a,6b,9,9,12a,14b-nonamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxamido)-3-phenylpropanoic acid::CHEMBL380677

SMILES: C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=JUNGTNHTGUINCM-PJGSTNTHSA-N

Data: 5 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 5 hits for monomerid = 50188388   

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
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188388 ((R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-...) Show SMILES C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| Show InChI InChI=1S/C41H59NO5/c1-25-23-37(5)20-19-36(4,34(47)42-27(33(45)46)21-26-13-11-10-12-14-26)24-40(37,8)30-22-28(43)32-38(6)17-16-31(44)35(2,3)29(38)15-18-39(32,7)41(25,30)9/h10-14,22,25,27,29,31-32,44H,15-21,23-24H2,1-9H3,(H,42,47)(H,45,46)/t25-,27+,29-,31-,32+,36-,37+,38-,39+,40-,41+/m0/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	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human))	BDBM50188388 ((R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-...) Show SMILES C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| Show InChI InChI=1S/C41H59NO5/c1-25-23-37(5)20-19-36(4,34(47)42-27(33(45)46)21-26-13-11-10-12-14-26)24-40(37,8)30-22-28(43)32-38(6)17-16-31(44)35(2,3)29(38)15-18-39(32,7)41(25,30)9/h10-14,22,25,27,29,31-32,44H,15-21,23-24H2,1-9H3,(H,42,47)(H,45,46)/t25-,27+,29-,31-,32+,36-,37+,38-,39+,40-,41+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human))	BDBM50188388 ((R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-...) Show SMILES C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| Show InChI InChI=1S/C41H59NO5/c1-25-23-37(5)20-19-36(4,34(47)42-27(33(45)46)21-26-13-11-10-12-14-26)24-40(37,8)30-22-28(43)32-38(6)17-16-31(44)35(2,3)29(38)15-18-39(32,7)41(25,30)9/h10-14,22,25,27,29,31-32,44H,15-21,23-24H2,1-9H3,(H,42,47)(H,45,46)/t25-,27+,29-,31-,32+,36-,37+,38-,39+,40-,41+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM50188388 ((R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-...) Show SMILES C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| Show InChI InChI=1S/C41H59NO5/c1-25-23-37(5)20-19-36(4,34(47)42-27(33(45)46)21-26-13-11-10-12-14-26)24-40(37,8)30-22-28(43)32-38(6)17-16-31(44)35(2,3)29(38)15-18-39(32,7)41(25,30)9/h10-14,22,25,27,29,31-32,44H,15-21,23-24H2,1-9H3,(H,42,47)(H,45,46)/t25-,27+,29-,31-,32+,36-,37+,38-,39+,40-,41+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188388 ((R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-...) Show SMILES C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| Show InChI InChI=1S/C41H59NO5/c1-25-23-37(5)20-19-36(4,34(47)42-27(33(45)46)21-26-13-11-10-12-14-26)24-40(37,8)30-22-28(43)32-38(6)17-16-31(44)35(2,3)29(38)15-18-39(32,7)41(25,30)9/h10-14,22,25,27,29,31-32,44H,15-21,23-24H2,1-9H3,(H,42,47)(H,45,46)/t25-,27+,29-,31-,32+,36-,37+,38-,39+,40-,41+/m0/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	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair