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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50214357   
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
Chitotriosidase-1


(Homo sapiens (Human))		BDBM50214357
PNG
(CHEMBL319102)
Show SMILES [H][C@@]12CSC(CCCCC(=O)NCCCCCC(=O)N\N=C\C(NC(C)=O)C(OC(CO)CO)OC3C(CO)OC(OC4C(O)C5N=C(OC5C4CO)N(C)C)C(NC(C)=O)C3O)[C@]1([H])NC(=O)N2 |c:46|
Show InChI InChI=1S/C41H69N9O16S/c1-20(55)44-24(14-43-49-29(58)12-6-5-9-13-42-28(57)11-8-7-10-27-30-25(19-67-27)46-40(61)47-30)38(62-22(15-51)16-52)65-37-26(18-54)63-39(32(34(37)60)45-21(2)56)64-36-23(17-53)35-31(33(36)59)48-41(66-35)50(3)4/h14,22-27,30-39,51-54,59-60H,5-13,15-19H2,1-4H3,(H,42,57)(H,44,55)(H,45,56)(H,49,58)(H2,46,47,61)/b43-14+/t23?,24?,25-,26?,27?,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?/m1/s1
PDB
MMDB

KEGG

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PC cid
PC sid
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Similars
PubMed
n/an/a 41n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Trichoderma Chitinase

Bioorg Med Chem Lett 8: 2987-90 (1998)


BindingDB Entry DOI: 10.7270/Q2TM7D9X
More data for this
Ligand-Target Pair