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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50263409'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50263409
PNG
(CHEMBL4086695)
Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CC#C)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,27:26:7:2.3.4,THB:22:21:7:2.3.4|
Show InChI InChI=1S/C19H20Cl2N2O3S/c1-3-8-22-12-13(4-2)17-6-5-7-18(19(22)24)23(17)27(25,26)16-10-14(20)9-15(21)11-16/h1,4,9-11,13,17-18H,2,5-8,12H2/t13-,17+,18-/m0/s1
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Similars
Article
PubMed
 49n/an/an/an/an/an/an/an/a



Department of Translational Research in Psychiatry , Max Planck Institute of Psychiatry , 80804 Munich , Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-(3-(4-(((5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl)-1H-1,2,3-triazol-1-yl)prop...

J Med Chem 61: 3660-3673 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00137
BindingDB Entry DOI: 10.7270/Q2833VGW
More data for this
Ligand-Target Pair