BDBM50329307 (R)-3-(2,6-Dimethyl-pyrimidin-4-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester::CHEMBL1271115

SMILES: Cc1cc(N[C@@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)nc(C)n1

InChI Key: InChIKey=DAWLFKQCVONEDS-DOVRNEMHSA-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 = 50329307   

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))	BDBM50329307 ((R)-3-(2,6-Dimethyl-pyrimidin-4-ylamino)-pyrrolidi...) Show SMILES Cc1cc(N[C@@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)nc(C)n1 |r,wU:5.4,13.13,wD:20.26,TLB:13:14:21:17.18.19,12:13:21.16.17:19,THB:15:16:19:22.14.13,15:14:21.16.17:19,13:18:21:22.15.14,(41.14,-5.48,;39.6,-5.45,;38.81,-6.77,;37.27,-6.74,;36.48,-8.06,;34.94,-8.03,;34.06,-6.77,;32.59,-7.23,;32.56,-8.77,;34.02,-9.26,;31.22,-9.53,;31.2,-11.07,;29.89,-8.75,;28.55,-9.5,;28.54,-11.03,;27.53,-12.31,;26.12,-11.74,;26.12,-10.16,;27.15,-8.92,;25.81,-9.4,;25.82,-10.89,;24.62,-12.16,;27.14,-11.38,;24.48,-10.11,;23.13,-10.88,;24.48,-8.57,;36.52,-5.4,;37.31,-4.08,;36.56,-2.74,;38.86,-4.1,)| Show InChI InChI=1S/C22H31N5O3/c1-12-5-18(25-13(2)24-12)26-17-3-4-27(11-17)21(29)30-19-15-6-14-7-16(19)10-22(8-14,9-15)20(23)28/h5,14-17,19H,3-4,6-11H2,1-2H3,(H2,23,28)(H,24,25,26)/t14?,15?,16?,17-,19-,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	>100	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))	BDBM50329307 ((R)-3-(2,6-Dimethyl-pyrimidin-4-ylamino)-pyrrolidi...) Show SMILES Cc1cc(N[C@@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)nc(C)n1 |r,wU:5.4,13.13,wD:20.26,TLB:13:14:21:17.18.19,12:13:21.16.17:19,THB:15:16:19:22.14.13,15:14:21.16.17:19,13:18:21:22.15.14,(41.14,-5.48,;39.6,-5.45,;38.81,-6.77,;37.27,-6.74,;36.48,-8.06,;34.94,-8.03,;34.06,-6.77,;32.59,-7.23,;32.56,-8.77,;34.02,-9.26,;31.22,-9.53,;31.2,-11.07,;29.89,-8.75,;28.55,-9.5,;28.54,-11.03,;27.53,-12.31,;26.12,-11.74,;26.12,-10.16,;27.15,-8.92,;25.81,-9.4,;25.82,-10.89,;24.62,-12.16,;27.14,-11.38,;24.48,-10.11,;23.13,-10.88,;24.48,-8.57,;36.52,-5.4,;37.31,-4.08,;36.56,-2.74,;38.86,-4.1,)| Show InChI InChI=1S/C22H31N5O3/c1-12-5-18(25-13(2)24-12)26-17-3-4-27(11-17)21(29)30-19-15-6-14-7-16(19)10-22(8-14,9-15)20(23)28/h5,14-17,19H,3-4,6-11H2,1-2H3,(H2,23,28)(H,24,25,26)/t14?,15?,16?,17-,19-,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	20.7	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