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BDBM50092400 3-(2-{[2-(2-Amino-propionylamino)-3-(1H-indol-3-yl)-propionyl]-methyl-amino}-hexanoylamino)-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid::CHEMBL334114

SMILES: CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=OGFFQKVUKZRKOO-BNXKOEPGSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50092400   
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
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50092400
PNG
(3-(2-{[2-(2-Amino-propionylamino)-3-(1H-indol-3-yl...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H45N7O7/c1-4-5-15-28(33(47)39-26(18-29(42)43)32(46)38-25(30(36)44)16-21-11-7-6-8-12-21)41(3)34(48)27(40-31(45)20(2)35)17-22-19-37-24-14-10-9-13-23(22)24/h6-14,19-20,25-28,37H,4-5,15-18,35H2,1-3H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,42,43)/t20-,25+,26+,27+,28+/m1/s1
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
15n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092400
PNG
(3-(2-{[2-(2-Amino-propionylamino)-3-(1H-indol-3-yl...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H45N7O7/c1-4-5-15-28(33(47)39-26(18-29(42)43)32(46)38-25(30(36)44)16-21-11-7-6-8-12-21)41(3)34(48)27(40-31(45)20(2)35)17-22-19-37-24-14-10-9-13-23(22)24/h6-14,19-20,25-28,37H,4-5,15-18,35H2,1-3H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,42,43)/t20-,25+,26+,27+,28+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair