BindingDB logo
myBDB logout

BDBM82304 CAS_122077::NSC_122077::SR 27897

SMILES: OC(=O)Cn1c(cc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccc1Cl

InChI Key: InChIKey=ILNRQFBVVQUOLP-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 82304   
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
CCKBR


(RAT)
BDBM82304
PNG
(CAS_122077 | NSC_122077 | SR 27897)
Show SMILES OC(=O)Cn1c(cc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccc1Cl
Show InChI InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents

PubMed
0.580n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin B


(GUINEA PIG)
BDBM82304
PNG
(CAS_122077 | NSC_122077 | SR 27897)
Show SMILES OC(=O)Cn1c(cc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccc1Cl
Show InChI InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents

PubMed
489n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin B


(GUINEA PIG)
BDBM82304
PNG
(CAS_122077 | NSC_122077 | SR 27897)
Show SMILES OC(=O)Cn1c(cc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccc1Cl
Show InChI InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents

PubMed
2.88E+3n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM82304
PNG
(CAS_122077 | NSC_122077 | SR 27897)
Show SMILES OC(=O)Cn1c(cc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccc1Cl
Show InChI InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.560n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human CCK1 receptor


Bioorg Med Chem Lett 17: 6493-8 (2007)

More data for this
Ligand-Target Pair