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BDBM50194643 (2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-chlorophenyl)propanoyl]pyrrolidine-2-yl)carbonyl-N-((3R)-3-piperidinylmethyl)-pyrrolidine-2-carboxamide::CHEMBL215894

SMILES: O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1

InChI Key: InChIKey=AFAZXESEAHMGAC-BMSWWXRLSA-N

Data: 5 KI

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 5 hits for monomerid = 50194643   
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))
BDBM50194643
PNG
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-chloroph...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1
Show InChI InChI=1S/C37H41Cl3N4O4/c38-28-11-5-25(6-12-28)37(26-7-13-29(39)14-8-26,27-9-15-30(40)16-10-27)20-34(46)44-23-31(45)19-33(44)36(48)43-18-2-4-32(43)35(47)42-22-24-3-1-17-41-21-24/h5-16,24,31-33,41,45H,1-4,17-23H2,(H,42,47)/t24-,31-,32-,33+/m1/s1
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PubMed
1.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells


J Med Chem 49: 5653-63 (2006)


Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50194643
PNG
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-chloroph...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1
Show InChI InChI=1S/C37H41Cl3N4O4/c38-28-11-5-25(6-12-28)37(26-7-13-29(39)14-8-26,27-9-15-30(40)16-10-27)20-34(46)44-23-31(45)19-33(44)36(48)43-18-2-4-32(43)35(47)42-22-24-3-1-17-41-21-24/h5-16,24,31-33,41,45H,1-4,17-23H2,(H,42,47)/t24-,31-,32-,33+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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PubMed
100n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human cloned M2 receptor expressed in CHO cells


J Med Chem 49: 5653-63 (2006)


Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50194643
PNG
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-chloroph...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1
Show InChI InChI=1S/C37H41Cl3N4O4/c38-28-11-5-25(6-12-28)37(26-7-13-29(39)14-8-26,27-9-15-30(40)16-10-27)20-34(46)44-23-31(45)19-33(44)36(48)43-18-2-4-32(43)35(47)42-22-24-3-1-17-41-21-24/h5-16,24,31-33,41,45H,1-4,17-23H2,(H,42,47)/t24-,31-,32-,33+/m1/s1
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120n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human cloned M4 receptor expressed in CHO cells


J Med Chem 49: 5653-63 (2006)


Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50194643
PNG
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-chloroph...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1
Show InChI InChI=1S/C37H41Cl3N4O4/c38-28-11-5-25(6-12-28)37(26-7-13-29(39)14-8-26,27-9-15-30(40)16-10-27)20-34(46)44-23-31(45)19-33(44)36(48)43-18-2-4-32(43)35(47)42-22-24-3-1-17-41-21-24/h5-16,24,31-33,41,45H,1-4,17-23H2,(H,42,47)/t24-,31-,32-,33+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
460n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human cloned M1 receptor expressed in CHO cells


J Med Chem 49: 5653-63 (2006)


Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50194643
PNG
((2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-chloroph...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1
Show InChI InChI=1S/C37H41Cl3N4O4/c38-28-11-5-25(6-12-28)37(26-7-13-29(39)14-8-26,27-9-15-30(40)16-10-27)20-34(46)44-23-31(45)19-33(44)36(48)43-18-2-4-32(43)35(47)42-22-24-3-1-17-41-21-24/h5-16,24,31-33,41,45H,1-4,17-23H2,(H,42,47)/t24-,31-,32-,33+/m1/s1
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PubMed
2.70E+3n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human cloned M5 receptor expressed in CHO cells


J Med Chem 49: 5653-63 (2006)


Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K
More data for this
Ligand-Target Pair