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BDBM50046113 3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-(1-{[1-tert-butoxycarbonyl-2-(1H-indol-3-yl)-ethyl]-methyl-carbamoyl}-pentyl)-succinamic acid::CHEMBL3351051::CHEMBL49259

SMILES: CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C

InChI Key: InChIKey=AKMAQRSSWLEOTI-LVVCFRGDSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50046113   
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 receptor


(Homo sapiens (Human))
BDBM50046113
PNG
(3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-(1-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C39H49N5O7/c1-6-7-18-31(37(49)44(5)33(38(50)51-39(2,3)4)21-26-23-41-30-19-11-10-17-28(26)30)42-36(48)32(22-34(45)46)43-35(47)29(40)20-25-15-12-14-24-13-8-9-16-27(24)25/h8-17,19,23,29,31-33,41H,6-7,18,20-22,40H2,1-5H3,(H,42,48)(H,43,47)(H,45,46)/t29-,31?,32-,33+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
68n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50046113
PNG
(3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-(1-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C39H49N5O7/c1-6-7-18-31(37(49)44(5)33(38(50)51-39(2,3)4)21-26-23-41-30-19-11-10-17-28(26)30)42-36(48)32(22-34(45)46)43-35(47)29(40)20-25-15-12-14-24-13-8-9-16-27(24)25/h8-17,19,23,29,31-33,41H,6-7,18,20-22,40H2,1-5H3,(H,42,48)(H,43,47)(H,45,46)/t29-,31?,32-,33+/m1/s1
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]-pCCK-8 from cholecystokinin-A receptor in guinea pig pancreatic membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair