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BDBM50369325 CHEMBL1791005

SMILES: CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=SSNSFSIUYVVQGZ-RPLNLGJPSA-N

Data: 2 KI

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 = 50369325   
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


(RAT)
BDBM50369325
PNG
(CHEMBL1791005)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-6-8-17-36(52-40(57)24-31-19-21-33(22-20-31)69-70(66,67)68)45(62)51-28-41(58)53-37(25-32-27-50-35-18-13-12-16-34(32)35)46(63)54-43(29(3)7-2)48(65)56(5)39(26-42(59)60)47(64)55(4)38(44(49)61)23-30-14-10-9-11-15-30/h9-16,18-22,27,29,36-39,43,50H,6-8,17,23-26,28H2,1-5H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,59,60)(H,66,67,68)/t29-,36-,37-,38-,39-,43-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.530n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50369325
PNG
(CHEMBL1791005)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-6-8-17-36(52-40(57)24-31-19-21-33(22-20-31)69-70(66,67)68)45(62)51-28-41(58)53-37(25-32-27-50-35-18-13-12-16-34(32)35)46(63)54-43(29(3)7-2)48(65)56(5)39(26-42(59)60)47(64)55(4)38(44(49)61)23-30-14-10-9-11-15-30/h9-16,18-22,27,29,36-39,43,50H,6-8,17,23-26,28H2,1-5H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,59,60)(H,66,67,68)/t29-,36-,37-,38-,39-,43-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair