BDBM50329298 (R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-acetylamino-adamantan-2-yl ester::CHEMBL1270702

SMILES: CC(=O)N[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)NC(=O)OC(C)(C)C)C(C3)C2

InChI Key: InChIKey=KQHQICQDJAXTIW-WIOLGDMUSA-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 = 50329298   

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))	BDBM50329298 ((R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carbo...) Show SMILES CC(=O)N[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)NC(=O)OC(C)(C)C)C(C3)C2 |r,wU:17.20,10.11,wD:4.3,TLB:7:6:29:9.8.10,7:8:5.6.28:29,THB:10:8:5:28.27.29,10:27:5:9.7.8,11:10:5.6.28:29,(6.47,-37.02,;7.8,-37.8,;7.8,-39.34,;9.14,-37.03,;10.48,-37.81,;9.28,-39.08,;10.78,-38.66,;12.19,-39.23,;13.2,-37.95,;11.81,-38.3,;13.21,-36.42,;14.55,-35.67,;15.88,-36.45,;15.86,-37.99,;17.22,-35.69,;17.25,-34.14,;18.72,-33.69,;19.6,-34.95,;18.68,-36.18,;21.14,-34.98,;21.94,-33.66,;21.19,-32.31,;23.48,-33.68,;24.27,-32.36,;25.81,-32.39,;23.52,-31.01,;25.03,-31.02,;11.82,-35.84,;10.78,-37.08,;10.47,-36.32,)| Show InChI InChI=1S/C22H35N3O5/c1-13(26)24-22-9-14-7-15(10-22)18(16(8-14)11-22)29-20(28)25-6-5-17(12-25)23-19(27)30-21(2,3)4/h14-18H,5-12H2,1-4H3,(H,23,27)(H,24,26)/t14?,15?,16?,17-,18-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	66.9	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of 11betaHSD1 in human platelet assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader				Bioorg Med Chem Lett 20: 6725-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.142 BindingDB Entry DOI: 10.7270/Q2X92BJ5
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50329298 ((R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carbo...) Show SMILES CC(=O)N[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)NC(=O)OC(C)(C)C)C(C3)C2 |r,wU:17.20,10.11,wD:4.3,TLB:7:6:29:9.8.10,7:8:5.6.28:29,THB:10:8:5:28.27.29,10:27:5:9.7.8,11:10:5.6.28:29,(6.47,-37.02,;7.8,-37.8,;7.8,-39.34,;9.14,-37.03,;10.48,-37.81,;9.28,-39.08,;10.78,-38.66,;12.19,-39.23,;13.2,-37.95,;11.81,-38.3,;13.21,-36.42,;14.55,-35.67,;15.88,-36.45,;15.86,-37.99,;17.22,-35.69,;17.25,-34.14,;18.72,-33.69,;19.6,-34.95,;18.68,-36.18,;21.14,-34.98,;21.94,-33.66,;21.19,-32.31,;23.48,-33.68,;24.27,-32.36,;25.81,-32.39,;23.52,-31.01,;25.03,-31.02,;11.82,-35.84,;10.78,-37.08,;10.47,-36.32,)| Show InChI InChI=1S/C22H35N3O5/c1-13(26)24-22-9-14-7-15(10-22)18(16(8-14)11-22)29-20(28)25-6-5-17(12-25)23-19(27)30-21(2,3)4/h14-18H,5-12H2,1-4H3,(H,23,27)(H,24,26)/t14?,15?,16?,17-,18-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15.7	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant 11betaHSD1 expressed in CHO cells assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader				Bioorg Med Chem Lett 20: 6725-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.142 BindingDB Entry DOI: 10.7270/Q2X92BJ5
					More data for this Ligand-Target Pair