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BDBM82384 Benzyloxycarbonyl CCK(27-32)NH2

SMILES: CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OS(O)(=O)=O)cc1)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)OCc1ccccc1

InChI Key: InChIKey=PAFQDWDIHZPRIV-AWSJBNSNSA-N

Data: 1 KI

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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 1 hit for monomerid = 82384   
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


(RAT)
BDBM82384
PNG
(Benzyloxycarbonyl CCK(27-32)NH2)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OS(O)(=O)=O)cc1)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)OCc1ccccc1
Show InChI InChI=1S/C43H53N7O13S3/c1-64-18-16-33(48-39(54)31(44)20-26-12-14-29(15-13-26)63-66(59,60)61)40(55)46-24-37(51)47-35(21-28-23-45-32-11-7-6-10-30(28)32)42(57)49-34(17-19-65-2)41(56)50-36(22-38(52)53)43(58)62-25-27-8-4-3-5-9-27/h3-15,23,31,33-36,45H,16-22,24-25,44H2,1-2H3,(H,46,55)(H,47,51)(H,48,54)(H,49,57)(H,50,56)(H,52,53)(H,59,60,61)/t31-,33-,34-,35-,36-/m0/s1
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PC cid
PC sid
UniChem

Similars

PubMed
3.50E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 83: 4918-22 (1986)


BindingDB Entry DOI: 10.7270/Q2445K05
More data for this
Ligand-Target Pair