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BDBM50186108 CHEMBL209301::N-(((1S,3R)-3-(N-benzylpivalamido)cyclohexyl)methyl)-4-fluoro-N-(3-(2-(pyrrolidin-1-yl)ethoxy)phenyl)benzamide

SMILES: CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1

InChI Key: InChIKey=JEOIMYUIHSWTEE-BZKUTMRRSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50186108   
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
Motilin receptor


(Homo sapiens (Human))
BDBM50186108
PNG
(CHEMBL209301 | N-(((1S,3R)-3-(N-benzylpivalamido)c...)
Show SMILES CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1
Show InChI InChI=1S/C38H48FN3O3/c1-38(2,3)37(44)42(27-29-11-5-4-6-12-29)33-14-9-13-30(25-33)28-41(36(43)31-17-19-32(39)20-18-31)34-15-10-16-35(26-34)45-24-23-40-21-7-8-22-40/h4-6,10-12,15-20,26,30,33H,7-9,13-14,21-25,27-28H2,1-3H3/t30-,33+/m0/s1
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Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Activity at rabbit duodenum motilin receptor by tissue contractility assay


Bioorg Med Chem Lett 16: 3362-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.017
BindingDB Entry DOI: 10.7270/Q2XK8F5H
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50186108
PNG
(CHEMBL209301 | N-(((1S,3R)-3-(N-benzylpivalamido)c...)
Show SMILES CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1
Show InChI InChI=1S/C38H48FN3O3/c1-38(2,3)37(44)42(27-29-11-5-4-6-12-29)33-14-9-13-30(25-33)28-41(36(43)31-17-19-32(39)20-18-31)34-15-10-16-35(26-34)45-24-23-40-21-7-8-22-40/h4-6,10-12,15-20,26,30,33H,7-9,13-14,21-25,27-28H2,1-3H3/t30-,33+/m0/s1
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PC sid
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [125]I-motilin binding to rabbit motilin receptor


Bioorg Med Chem Lett 16: 3362-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.017
BindingDB Entry DOI: 10.7270/Q2XK8F5H
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50186108
PNG
(CHEMBL209301 | N-(((1S,3R)-3-(N-benzylpivalamido)c...)
Show SMILES CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1
Show InChI InChI=1S/C38H48FN3O3/c1-38(2,3)37(44)42(27-29-11-5-4-6-12-29)33-14-9-13-30(25-33)28-41(36(43)31-17-19-32(39)20-18-31)34-15-10-16-35(26-34)45-24-23-40-21-7-8-22-40/h4-6,10-12,15-20,26,30,33H,7-9,13-14,21-25,27-28H2,1-3H3/t30-,33+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 338n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Activity at human motilin receptor transfected in HEK293 cells assessed as inhibition of motilin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 16: 3362-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.017
BindingDB Entry DOI: 10.7270/Q2XK8F5H
More data for this
Ligand-Target Pair