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BDBM50355616 CHEMBL1910850

SMILES: CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](C1)Oc1cccc(O)c1

InChI Key: InChIKey=OGDKFVQZFIMTCJ-AREMUKBSSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50355616   
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))
BDBM50355616
PNG
(CHEMBL1910850)
Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](C1)Oc1cccc(O)c1 |r|
Show InChI InChI=1S/C29H34N2O3/c1-28(2,31-19-16-26(21-31)34-25-15-9-14-24(32)20-25)17-18-29(27(30)33,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20,26,32H,16-19,21H2,1-2H3,(H2,30,33)/t26-/m1/s1
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PC cid
PC sid
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Article
PubMed
0.201n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50355616
PNG
(CHEMBL1910850)
Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](C1)Oc1cccc(O)c1 |r|
Show InChI InChI=1S/C29H34N2O3/c1-28(2,31-19-16-26(21-31)34-25-15-9-14-24(32)20-25)17-18-29(27(30)33,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20,26,32H,16-19,21H2,1-2H3,(H2,30,33)/t26-/m1/s1
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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.510n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50355616
PNG
(CHEMBL1910850)
Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](C1)Oc1cccc(O)c1 |r|
Show InChI InChI=1S/C29H34N2O3/c1-28(2,31-19-16-26(21-31)34-25-15-9-14-24(32)20-25)17-18-29(27(30)33,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20,26,32H,16-19,21H2,1-2H3,(H2,30,33)/t26-/m1/s1
MMDB

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UniChem

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Article
PubMed
n/an/a 3.87n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at M3 receptor in Dunkin-Hartley guinea pig tracheal strips assessed as inhibition of electrically field-stimulated contractile r...


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair