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BDBM50011541 3-4-(tetrazol-5-ylphenyl)propanoyl-Met-Gly-Trp-Met-Asp-Phe-NH2::CHEMBL275167

SMILES: CSCC[C@H](NC(=O)CCc1ccc(cc1)-c1nnn[nH]1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=ZYQXGOWSFDOILT-LTLCPEALSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50011541   
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 B receptor


(Bos taurus)
BDBM50011541
PNG
(3-4-(tetrazol-5-ylphenyl)propanoyl-Met-Gly-Trp-Met...)
Show SMILES CSCC[C@H](NC(=O)CCc1ccc(cc1)-c1nnn[nH]1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H56N12O9S2/c1-68-20-18-33(50-38(59)17-14-27-12-15-29(16-13-27)42-55-57-58-56-42)43(64)49-26-39(60)51-36(23-30-25-48-32-11-7-6-10-31(30)32)45(66)52-34(19-21-69-2)44(65)54-37(24-40(61)62)46(67)53-35(41(47)63)22-28-8-4-3-5-9-28/h3-13,15-16,25,33-37,48H,14,17-24,26H2,1-2H3,(H2,47,63)(H,49,64)(H,50,59)(H,51,60)(H,52,66)(H,53,67)(H,54,65)(H,61,62)(H,55,56,57,58)/t33-,34-,35-,36-,37-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50011541
PNG
(3-4-(tetrazol-5-ylphenyl)propanoyl-Met-Gly-Trp-Met...)
Show SMILES CSCC[C@H](NC(=O)CCc1ccc(cc1)-c1nnn[nH]1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H56N12O9S2/c1-68-20-18-33(50-38(59)17-14-27-12-15-29(16-13-27)42-55-57-58-56-42)43(64)49-26-39(60)51-36(23-30-25-48-32-11-7-6-10-31(30)32)45(66)52-34(19-21-69-2)44(65)54-37(24-40(61)62)46(67)53-35(41(47)63)22-28-8-4-3-5-9-28/h3-13,15-16,25,33-37,48H,14,17-24,26H2,1-2H3,(H2,47,63)(H,49,64)(H,50,59)(H,51,60)(H,52,66)(H,53,67)(H,54,65)(H,61,62)(H,55,56,57,58)/t33-,34-,35-,36-,37-/m0/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 35n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair