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BDBM50241912 CHEMBL505197::Nocardimicin A

SMILES: CCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(n1)-c1ccccc1O)C(C)C(=O)NC1CCCCN(O)C1=O

InChI Key: InChIKey=LGOZXNLEMXJIMS-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50241912   
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50241912
PNG
(CHEMBL505197 | Nocardimicin A)
Show SMILES CCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(n1)-c1ccccc1O)C(C)C(=O)NC1CCCCN(O)C1=O
Show InChI InChI=1S/C37H55N5O10/c1-4-5-6-7-8-9-10-21-32(25(2)33(45)38-28-18-13-16-23-42(50)36(28)47)52-37(48)29(19-14-15-22-41(49)26(3)43)39-34(46)30-24-51-35(40-30)27-17-11-12-20-31(27)44/h11-12,17,20,24-25,28-29,32,44,49-50H,4-10,13-16,18-19,21-23H2,1-3H3,(H,38,45)(H,39,46)
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.25E+3n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in insect Sf9 cells


J Nat Prod 68: 1061-5 (2005)


Article DOI: 10.1021/np050091j
BindingDB Entry DOI: 10.7270/Q2R21155
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50241912
PNG
(CHEMBL505197 | Nocardimicin A)
Show SMILES CCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(n1)-c1ccccc1O)C(C)C(=O)NC1CCCCN(O)C1=O
Show InChI InChI=1S/C37H55N5O10/c1-4-5-6-7-8-9-10-21-32(25(2)33(45)38-28-18-13-16-23-42(50)36(28)47)52-37(48)29(19-14-15-22-41(49)26(3)43)39-34(46)30-24-51-35(40-30)27-17-11-12-20-31(27)44/h11-12,17,20,24-25,28-29,32,44,49-50H,4-10,13-16,18-19,21-23H2,1-3H3,(H,38,45)(H,39,46)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.89E+3n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in insect Sf9 cells


J Nat Prod 68: 1061-5 (2005)


Article DOI: 10.1021/np050091j
BindingDB Entry DOI: 10.7270/Q2R21155
More data for this
Ligand-Target Pair