BDBM50329305 (R)-3-(4-Trifluoromethyl-pyrimidin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester::CHEMBL1271010

SMILES: NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1nccc(n1)C(F)(F)F)C(C3)C2

InChI Key: InChIKey=DVTGTHNYDDOEIF-PLYQKJOVSA-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 = 50329305   

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))	BDBM50329305 ((R)-3-(4-Trifluoromethyl-pyrimidin-2-ylamino)-pyrr...) Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1nccc(n1)C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(-10.48,-11.09,;-9.13,-10.31,;-9.13,-8.77,;-7.79,-11.09,;-8.99,-12.37,;-7.49,-11.95,;-6.08,-12.51,;-5.07,-11.23,;-6.46,-11.58,;-5.06,-9.71,;-3.72,-8.95,;-2.39,-9.73,;-2.41,-11.27,;-1.05,-8.97,;-1.02,-7.43,;.45,-6.98,;1.33,-8.24,;.41,-9.47,;2.87,-8.26,;3.67,-6.94,;5.21,-6.97,;6,-5.65,;5.25,-4.31,;3.7,-4.28,;2.92,-5.61,;2.95,-2.94,;3.73,-1.62,;1.41,-2.92,;2.16,-1.6,;-6.45,-9.13,;-7.49,-10.36,;-7.8,-9.61,)| Show InChI InChI=1S/C21H26F3N5O3/c22-21(23,24)15-1-3-26-18(28-15)27-14-2-4-29(10-14)19(31)32-16-12-5-11-6-13(16)9-20(7-11,8-12)17(25)30/h1,3,11-14,16H,2,4-10H2,(H2,25,30)(H,26,27,28)/t11?,12?,13?,14-,16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	16.4	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))	BDBM50329305 ((R)-3-(4-Trifluoromethyl-pyrimidin-2-ylamino)-pyrr...) Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1nccc(n1)C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(-10.48,-11.09,;-9.13,-10.31,;-9.13,-8.77,;-7.79,-11.09,;-8.99,-12.37,;-7.49,-11.95,;-6.08,-12.51,;-5.07,-11.23,;-6.46,-11.58,;-5.06,-9.71,;-3.72,-8.95,;-2.39,-9.73,;-2.41,-11.27,;-1.05,-8.97,;-1.02,-7.43,;.45,-6.98,;1.33,-8.24,;.41,-9.47,;2.87,-8.26,;3.67,-6.94,;5.21,-6.97,;6,-5.65,;5.25,-4.31,;3.7,-4.28,;2.92,-5.61,;2.95,-2.94,;3.73,-1.62,;1.41,-2.92,;2.16,-1.6,;-6.45,-9.13,;-7.49,-10.36,;-7.8,-9.61,)| Show InChI InChI=1S/C21H26F3N5O3/c22-21(23,24)15-1-3-26-18(28-15)27-14-2-4-29(10-14)19(31)32-16-12-5-11-6-13(16)9-20(7-11,8-12)17(25)30/h1,3,11-14,16H,2,4-10H2,(H2,25,30)(H,26,27,28)/t11?,12?,13?,14-,16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.20	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