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SMILES: O=C(CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)N(C1CC1)c1ccccc1

InChI Key: InChIKey=VTMQSICVVWNLPW-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 85162   
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
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM85162
PNG
(CCK-A Agonist 44)
Show SMILES O=C(CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)N(C1CC1)c1ccccc1
Show InChI InChI=1S/C34H29N5O3/c40-32(38(25-19-20-25)23-11-3-1-4-12-23)22-37-30-17-9-10-18-31(30)39(24-13-5-2-6-14-24)34(42)27(33(37)41)21-29-26-15-7-8-16-28(26)35-36-29/h1-18,25,27H,19-22H2,(H,35,36)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
25.1n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by PDSP Ki Database




J Med Chem 40: 2706-25 (1997)


Article DOI: 10.1021/jm970265x
BindingDB Entry DOI: 10.7270/Q27M06F9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM85162
PNG
(CCK-A Agonist 44)
Show SMILES O=C(CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)N(C1CC1)c1ccccc1
Show InChI InChI=1S/C34H29N5O3/c40-32(38(25-19-20-25)23-11-3-1-4-12-23)22-37-30-17-9-10-18-31(30)39(24-13-5-2-6-14-24)34(42)27(33(37)41)21-29-26-15-7-8-16-28(26)35-36-29/h1-18,25,27H,19-22H2,(H,35,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
525n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by PDSP Ki Database




J Med Chem 40: 2706-25 (1997)


Article DOI: 10.1021/jm970265x
BindingDB Entry DOI: 10.7270/Q27M06F9
More data for this
Ligand-Target Pair