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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kallikrein' and Ligand = 'BDBM50004610'   
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
Kallikrein


(Sus scrofa)		BDBM50004610
PNG
(2-(2-{2-[2-(2-{[1-(2-Acetylamino-3-hydroxy-propion...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C38H60N12O11/c1-20(2)30(36(60)45-23(31(40)55)13-14-29(39)54)49-34(58)26(18-51)48-32(56)24(11-7-15-43-38(41)42)46-33(57)25(17-22-9-5-4-6-10-22)47-35(59)28-12-8-16-50(28)37(61)27(19-52)44-21(3)53/h4-6,9-10,20,23-28,30,51-52H,7-8,11-19H2,1-3H3,(H2,39,54)(H2,40,55)(H,44,53)(H,45,60)(H,46,57)(H,47,59)(H,48,56)(H,49,58)(H4,41,42,43)/t23-,24-,25-,26-,27-,28-,30-/m0/s1
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PC cid
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UniChem

Similars
PubMed
 1.01E+5n/an/an/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-kallikrein

J Med Chem 35: 3094-102 (1992)


BindingDB Entry DOI: 10.7270/Q23R0RVF
More data for this
Ligand-Target Pair