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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50151216'   
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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50151216
PNG
(CHEMBL2368391 | difluoro(2-{[(2Z)-1-methyl-5-{2-[(...)
Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,73|
Show InChI InChI=1S/C50H61BF2N10O5S/c52-51(53)62-37(19-20-38(62)35-39-21-23-43(63(39)51)44-16-12-34-69-44)22-24-47(66)56-26-8-2-4-17-45(64)54-25-7-1-3-18-46(65)55-27-9-10-29-59-30-32-60(33-31-59)36-48(67)61-42-15-6-5-13-40(42)50(68)58-41-14-11-28-57-49(41)61/h5-6,11-16,19-21,23,28,34-35H,1-4,7-10,17-18,22,24-27,29-33,36H2,(H,54,64)(H,55,65)(H,56,66)(H,58,68)
UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
55n/an/an/an/an/an/an/an/a



UMR CNRS/ULP 7081

Curated by ChEMBL


Assay Description
Inhibition of [3H]QNB binding to human muscarinic receptor M1


J Med Chem 47: 4300-15 (2004)


Article DOI: 10.1021/jm040800a
BindingDB Entry DOI: 10.7270/Q2T43TVQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50151216
PNG
(CHEMBL2368391 | difluoro(2-{[(2Z)-1-methyl-5-{2-[(...)
Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,73|
Show InChI InChI=1S/C50H61BF2N10O5S/c52-51(53)62-37(19-20-38(62)35-39-21-23-43(63(39)51)44-16-12-34-69-44)22-24-47(66)56-26-8-2-4-17-45(64)54-25-7-1-3-18-46(65)55-27-9-10-29-59-30-32-60(33-31-59)36-48(67)61-42-15-6-5-13-40(42)50(68)58-41-14-11-28-57-49(41)61/h5-6,11-16,19-21,23,28,34-35H,1-4,7-10,17-18,22,24-27,29-33,36H2,(H,54,64)(H,55,65)(H,56,66)(H,58,68)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 13n/an/an/an/an/a



UMR CNRS/ULP 7081

Curated by ChEMBL


Assay Description
Apparent dissociation constant for human muscarinic receptor M1 from FRET based binding assay


J Med Chem 47: 4300-15 (2004)


Article DOI: 10.1021/jm040800a
BindingDB Entry DOI: 10.7270/Q2T43TVQ
More data for this
Ligand-Target Pair