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BDBM50089535 (R)-2-Amino-3-methyl-butyric acid 5-[(6,6-dimethyl-hepta-2,4-diynyl)-methyl-amino]-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl ester::CHEMBL34818

SMILES: CC(C)[C@@H](N)C(=O)OC1Cc2c(NC1=O)cccc2N(C)CC#CC#CC(C)(C)C

InChI Key: InChIKey=PZWMMNWKBCANKZ-BPGUCPLFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50089535   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Chitin synthase


(Candida albicans)		BDBM50089535
PNG
((R)-2-Amino-3-methyl-butyric acid 5-[(6,6-dimethyl...)
Show SMILES CC(C)[C@@H](N)C(=O)OC1Cc2c(NC1=O)cccc2N(C)CC#CC#CC(C)(C)C
Show InChI InChI=1S/C24H31N3O3/c1-16(2)21(25)23(29)30-20-15-17-18(26-22(20)28)11-10-12-19(17)27(6)14-9-7-8-13-24(3,4)5/h10-12,16,20-21H,14-15,25H2,1-6H3,(H,26,28)/t20?,21-/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
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PubMed
n/an/a 15n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1

Bioorg Med Chem Lett 10: 1459-62 (2000)


BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair