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BDBM50219979 CHEMBL58824

SMILES: [H][C@]12C[C@@]3([H])CCCC[C@@]3([H])[C@H](\C=C/[C@H]3CCC[C@H](C)N3C)[C@@]1([H])[C@H](C)OC2=O

InChI Key: InChIKey=FMPNFDSPHNUFOS-LYTIHPTOSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50219979   
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 M1 and M3


(Homo sapiens (Human))
BDBM50219979
PNG
(CHEMBL58824)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](\C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11-/t14-,15-,16+,17+,18+,19-,20-,21+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
794n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Binding affinity against human muscarine receptor (hM3) cloned in CHO cells


Bioorg Med Chem Lett 12: 1909-12 (2002)


Article DOI: 10.1016/s0960-894x(02)00315-3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50219979
PNG
(CHEMBL58824)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](\C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11-/t14-,15-,16+,17+,18+,19-,20-,21+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
794n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Binding affinity against human muscarine receptor (hM4) cloned in CHO cells


Bioorg Med Chem Lett 12: 1909-12 (2002)


Article DOI: 10.1016/s0960-894x(02)00315-3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50219979
PNG
(CHEMBL58824)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](\C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11-/t14-,15-,16+,17+,18+,19-,20-,21+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.57E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Binding affinity against human muscarine receptor (hM1) cloned in CHO cells


Bioorg Med Chem Lett 12: 1909-12 (2002)


Article DOI: 10.1016/s0960-894x(02)00315-3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50219979
PNG
(CHEMBL58824)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](\C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11-/t14-,15-,16+,17+,18+,19-,20-,21+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
851n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Binding affinity against human muscarine receptor (hM2) cloned in CHO cells


Bioorg Med Chem Lett 12: 1909-12 (2002)


Article DOI: 10.1016/s0960-894x(02)00315-3
More data for this
Ligand-Target Pair