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BDBM50218323 CHEMBL406969

SMILES: CC(C)CCCC(C)CCC(C)CCC(C)(C)CCCCC(C)CCO[C@H](COP(O)(=O)OC1OC(C(N)=O)C(C)(O)C(OC(N)=O)C1OC1OC(CO)C(OC2OC(C)C(O)C(O)C2NC(C)=O)C(O)C1NC(C)=O)C(O)=O

InChI Key: InChIKey=FWWXDXNVNZKQTG-FDFLSTMLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50218323   
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
Cytochrome P450 11A1


(Rattus norvegicus)		BDBM50218323
PNG
(CHEMBL406969)
Show SMILES CC(C)CCCC(C)CCC(C)CCC(C)(C)CCCCC(C)CCO[C@H](COP(O)(=O)OC1OC(C(N)=O)C(C)(O)C(OC(N)=O)C1OC1OC(CO)C(OC2OC(C)C(O)C(O)C2NC(C)=O)C(O)C1NC(C)=O)C(O)=O
Show InChI InChI=1S/C52H95N4O22P/c1-27(2)15-14-17-28(3)18-19-30(5)20-23-51(9,10)22-13-12-16-29(4)21-24-70-35(46(64)65)26-71-79(68,69)78-49-42(43(77-50(54)66)52(11,67)44(76-49)45(53)63)75-48-37(56-33(8)59)40(62)41(34(25-57)73-48)74-47-36(55-32(7)58)39(61)38(60)31(6)72-47/h27-31,34-44,47-49,57,60-62,67H,12-26H2,1-11H3,(H2,53,63)(H2,54,66)(H,55,58)(H,56,59)(H,64,65)(H,68,69)/t28?,29?,30?,31?,34?,35-,36?,37?,38?,39?,40?,41?,42?,43?,44?,47?,48?,49?,52?/m1/s1
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Similars
PubMed
n/an/a 5.04E+4n/an/an/an/an/an/a



Advanced Medicine, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of peptidoglycan synthesis in Enterococcus faecalis using [14C]lysine radioligand

Bioorg Med Chem Lett 10: 2251-4 (2000)


BindingDB Entry DOI: 10.7270/Q2D79DM6
More data for this
Ligand-Target Pair