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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen B' and Ligand = 'BDBM50288336'   
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
Chymotrypsinogen B


(Homo sapiens (Human))		BDBM50288336
PNG
(1-Benzoyl-pyrrolidine-2-carboxylic acid ((S)-1-(R)...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)[C@@H]1CO1)C1CCCN1C(=O)c1ccccc1
Show InChI InChI=1S/C22H24N2O3/c25-21(23-18(20-15-27-20)14-16-8-3-1-4-9-16)19-12-7-13-24(19)22(26)17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-15H2,(H,23,25)/t18-,19?,20-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
 8.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-chymotrypsin

Bioorg Med Chem Lett 6: 2837-2840 (1996)


Article DOI: 10.1016/S0960-894X(96)00536-7
BindingDB Entry DOI: 10.7270/Q2C53KTP
More data for this
Ligand-Target Pair