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BDBM50317220 (2R)-N-(adamantan-2-yl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide::CHEMBL1098145

SMILES: O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1ccc(cc1)C#N

InChI Key: InChIKey=WUXGFQWDLDOSEJ-ROCCCLLUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50317220   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50317220
PNG
((2R)-N-(adamantan-2-yl)-1-[(4-cyanophenyl)methyl]p...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1ccc(cc1)C#N |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(18.7,-42.55,;17.36,-43.3,;17.33,-44.84,;15.99,-45.59,;15.98,-47.12,;14.58,-47.47,;13.24,-46.98,;12.04,-48.26,;13.55,-47.83,;14.96,-48.4,;13.54,-46.25,;14.59,-45.01,;13.23,-45.49,;15.85,-42.79,;14.64,-43.77,;13.4,-42.86,;13.87,-41.4,;15.4,-41.39,;16.3,-40.14,;15.53,-38.8,;16.31,-37.47,;15.55,-36.14,;14.01,-36.13,;13.23,-37.47,;14,-38.8,;13.24,-34.79,;12.48,-33.46,)|
Show InChI InChI=1S/C23H29N3O/c24-13-15-3-5-16(6-4-15)14-26-7-1-2-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h3-6,17-22H,1-2,7-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1
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Article
PubMed
n/an/a 0.0300n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 2897-902 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ
More data for this
Ligand-Target Pair