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BDBM50182090 CHEMBL382419::tert-butyl 1-(2-hydroxy-3-(4-(3-oxo-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)piperidin-1-yl)propyl)-3-(4-(trifluoromethyl)phenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1C(=O)COc2ccccc12)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=JGSIEANYYGCVKS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50182090   
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
Cathepsin S


(Homo sapiens (Human))		BDBM50182090
PNG
(CHEMBL382419 | tert-butyl 1-(2-hydroxy-3-(4-(3-oxo...)
Show SMILES CC(C)(C)OC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1C(=O)COc2ccccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C34H40F3N5O5/c1-33(2,3)47-32(45)40-17-14-27-26(20-40)31(22-8-10-23(11-9-22)34(35,36)37)38-41(27)19-25(43)18-39-15-12-24(13-16-39)42-28-6-4-5-7-29(28)46-21-30(42)44/h4-11,24-25,43H,12-21H2,1-3H3
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n/an/a 826n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S

Bioorg Med Chem Lett 16: 2209-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.038
BindingDB Entry DOI: 10.7270/Q2K35T7W
More data for this
Ligand-Target Pair