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SMILES: CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)C(=O)NS(=O)(=O)c2ccccc2)C1=O)C1CCCCC1

InChI Key: InChIKey=QNUMBYZNCIMMLP-MHZLTWQESA-N

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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 2 hits for monomerid = 50285463   
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
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50285463
PNG
(CHEMBL311154 | N-{3-[3-((R)-5-Cyclohexyl-1-methyl-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)C(=O)NS(=O)(=O)c2ccccc2)C1=O)C1CCCCC1 |c:9|
Show InChI InChI=1S/C30H31N5O5S/c1-35-25-18-9-8-17-24(25)26(20-11-4-2-5-12-20)32-27(29(35)37)33-30(38)31-22-14-10-13-21(19-22)28(36)34-41(39,40)23-15-6-3-7-16-23/h3,6-10,13-20,27H,2,4-5,11-12H2,1H3,(H,34,36)(H2,31,33,38)/t27-/m0/s1
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PC cid
PC sid
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Similars

Article
n/an/a 0.730n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was measured by displacement of [125I]-CCK from guinea pig cortical membranes


Bioorg Med Chem Lett 5: 2303-2308 (1995)


Article DOI: 10.1016/0960-894X(95)00399-E
BindingDB Entry DOI: 10.7270/Q2F18ZPK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50285463
PNG
(CHEMBL311154 | N-{3-[3-((R)-5-Cyclohexyl-1-methyl-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)C(=O)NS(=O)(=O)c2ccccc2)C1=O)C1CCCCC1 |c:9|
Show InChI InChI=1S/C30H31N5O5S/c1-35-25-18-9-8-17-24(25)26(20-11-4-2-5-12-20)32-27(29(35)37)33-30(38)31-22-14-10-13-21(19-22)28(36)34-41(39,40)23-15-6-3-7-16-23/h3,6-10,13-20,27H,2,4-5,11-12H2,1H3,(H,34,36)(H2,31,33,38)/t27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.590n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was measured by displacement of [125I]-CCK from guinea pig cortical membranes


Bioorg Med Chem Lett 5: 2303-2308 (1995)


Article DOI: 10.1016/0960-894X(95)00399-E
BindingDB Entry DOI: 10.7270/Q2F18ZPK
More data for this
Ligand-Target Pair