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BDBM50113063 1-(Adamantan-1-ylcarbamoyl)-piperidine-2-carboxylic acid 3-(3,4-dimethoxy-phenyl)-propyl ester::CHEMBL440799

SMILES: COc1ccc(CCCOC(=O)C2CCCCN2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC

InChI Key: InChIKey=GHSGLKFPNQOGGB-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113063   
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
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50113063
PNG
(1-(Adamantan-1-ylcarbamoyl)-piperidine-2-carboxyli...)
Show SMILES COc1ccc(CCCOC(=O)C2CCCCN2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC |TLB:24:25:29:23.22.28,THB:24:23:29:25.30.26,26:27:22:25.30.24,26:25:22:27.29.28|
Show InChI InChI=1S/C28H40N2O5/c1-33-24-9-8-19(15-25(24)34-2)6-5-11-35-26(31)23-7-3-4-10-30(23)27(32)29-28-16-20-12-21(17-28)14-22(13-20)18-28/h8-9,15,20-23H,3-7,10-14,16-18H2,1-2H3,(H,29,32)
PDB
MMDB

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Similars
PubMed
 32n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12

Bioorg Med Chem Lett 12: 1421-8 (2002)


BindingDB Entry DOI: 10.7270/Q279441H
More data for this
Ligand-Target Pair