BindingDB logo
myBDB logout

null

SMILES: COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2[nH]nc3CCCCc23)C1=O

InChI Key: InChIKey=BVUCMLHZVCAVLT-UHFFFAOYSA-N

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 2 hits for monomerid = 85146   
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))
BDBM85146
PNG
(CCK-A Agonist 30)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2[nH]nc3CCCCc23)C1=O
Show InChI InChI=1S/C35H37N5O4/c1-23(2)39(25-17-19-26(44-3)20-18-25)33(41)22-38-31-15-9-10-16-32(31)40(24-11-5-4-6-12-24)35(43)28(34(38)42)21-30-27-13-7-8-14-29(27)36-37-30/h4-6,9-12,15-20,23,28H,7-8,13-14,21-22H2,1-3H3,(H,36,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
129n/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))
BDBM85146
PNG
(CCK-A Agonist 30)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2[nH]nc3CCCCc23)C1=O
Show InChI InChI=1S/C35H37N5O4/c1-23(2)39(25-17-19-26(44-3)20-18-25)33(41)22-38-31-15-9-10-16-32(31)40(24-11-5-4-6-12-24)35(43)28(34(38)42)21-30-27-13-7-8-14-29(27)36-37-30/h4-6,9-12,15-20,23,28H,7-8,13-14,21-22H2,1-3H3,(H,36,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.95E+3n/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