BDBM50384523 CHEMBL2036235

SMILES: NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC(=C)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2

InChI Key: InChIKey=WHPQORAGNCWNKF-CTHNYNLVSA-N

Data: 2 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 2 hits for monomerid = 50384523   

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 (Mus musculus (mouse))	BDBM50384523 (CHEMBL2036235) Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC(=C)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:8:3:33:6.7.9,10:9:4.3.34:33,1:3:33:6.7.9,THB:8:7:4.3.34:33,9:7:4:34.32.33,9:32:4:6.8.7,(18.57,-17.5,;18.17,-16.01,;19.27,-14.93,;16.69,-15.6,;16.42,-17.14,;15.79,-15.51,;16.8,-14.53,;17.09,-13.12,;17.81,-14.58,;15.72,-12.44,;15.73,-10.9,;14.39,-10.13,;14.4,-8.59,;13.06,-10.89,;11.73,-10.12,;11.73,-8.57,;10.39,-7.79,;10.39,-6.25,;9.05,-8.57,;9.05,-10.12,;7.72,-10.89,;6.39,-10.12,;6.39,-8.58,;5.05,-10.9,;5.06,-12.44,;3.73,-13.22,;6.4,-13.2,;7.72,-12.43,;9.05,-13.2,;10.38,-10.88,;11.15,-12.22,;9.6,-12.21,;14.59,-13.45,;14.44,-14.87,;15.26,-14.93,)| Show InChI InChI=1S/C23H27Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,13-15,20H,1-3,6-11H2,(H2,27,32)(H,28,31)/t13?,14?,15?,20-,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay				ACS Med Chem Lett 3: 88-93 (2012) Article DOI: 10.1021/ml200226x BindingDB Entry DOI: 10.7270/Q2TH8NR0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50384523 (CHEMBL2036235) Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC(=C)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:8:3:33:6.7.9,10:9:4.3.34:33,1:3:33:6.7.9,THB:8:7:4.3.34:33,9:7:4:34.32.33,9:32:4:6.8.7,(18.57,-17.5,;18.17,-16.01,;19.27,-14.93,;16.69,-15.6,;16.42,-17.14,;15.79,-15.51,;16.8,-14.53,;17.09,-13.12,;17.81,-14.58,;15.72,-12.44,;15.73,-10.9,;14.39,-10.13,;14.4,-8.59,;13.06,-10.89,;11.73,-10.12,;11.73,-8.57,;10.39,-7.79,;10.39,-6.25,;9.05,-8.57,;9.05,-10.12,;7.72,-10.89,;6.39,-10.12,;6.39,-8.58,;5.05,-10.9,;5.06,-12.44,;3.73,-13.22,;6.4,-13.2,;7.72,-12.43,;9.05,-13.2,;10.38,-10.88,;11.15,-12.22,;9.6,-12.21,;14.59,-13.45,;14.44,-14.87,;15.26,-14.93,)| Show InChI InChI=1S/C23H27Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,13-15,20H,1-3,6-11H2,(H2,27,32)(H,28,31)/t13?,14?,15?,20-,23-	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	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay				ACS Med Chem Lett 3: 88-93 (2012) Article DOI: 10.1021/ml200226x BindingDB Entry DOI: 10.7270/Q2TH8NR0
					More data for this Ligand-Target Pair