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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen B' and Ligand = 'BDBM50025877'   
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))		BDBM50025877
PNG
(CHEMBL58683 | N-[1R-(2-phenyl ethyl)]propanamide d...)
Show SMILES CC(N)C(=O)N[C@@H](Cc1ccccc1)B(F)F
Show InChI InChI=1S/C11H15BF2N2O/c1-8(15)11(17)16-10(12(13)14)7-9-5-3-2-4-6-9/h2-6,8,10H,7,15H2,1H3,(H,16,17)/t8?,10-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 290n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competetive inhibition of alpha-chymotrypsin

J Med Chem 28: 1917-25 (1986)


BindingDB Entry DOI: 10.7270/Q22B8X1B
More data for this
Ligand-Target Pair