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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-chimaerin'   
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
Beta-chimaerin


(Homo sapiens (Human))		BDBM50098227
PNG
(CHEMBL275750 | Pentanoic acid 2-[4-(3-benzylamino-...)
Show SMILES CCCCC(=O)OCC(=O)[C@]1(O)C[C@@H](O[C@@H]2C[C@H](C)[C@H](O)[C@H](C2)NCc2ccccc2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2C1
Show InChI InChI=1S/C40H45NO11/c1-4-5-14-30(43)51-20-29(42)40(49)17-25-32(39(48)34-33(37(25)46)36(45)24-12-9-13-27(50-3)31(24)38(34)47)28(18-40)52-23-15-21(2)35(44)26(16-23)41-19-22-10-7-6-8-11-22/h6-13,21,23,26,28,35,41,44,46,48-49H,4-5,14-20H2,1-3H3/t21-,23+,26-,28+,35-,40+/m0/s1
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Similars
PubMed
 1.50E+3n/an/an/an/an/an/an/an/a



University of Tennessee College of Medicine

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards beta chimerin

J Med Chem 44: 1028-34 (2001)


BindingDB Entry DOI: 10.7270/Q2WD3ZT9
More data for this
Ligand-Target Pair