BDBM50411340 CHEMBL387948

SMILES OC(=O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1

InChI Key InChIKey=HJHOQAZDCWIAIH-UHFFFAOYSA-N

Data  3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50411340   

TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
James Black Foundation

Curated by ChEMBL
LigandPNGBDBM50411340(CHEMBL387948)
Show SMILES OC(=O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C31H36N4O5/c36-27(22-10-4-5-11-22)19-34-26-16-7-6-15-25(26)30(23-12-2-1-3-13-23)33-35(31(34)40)20-28(37)32-24-14-8-9-21(17-24)18-29(38)39/h6-9,14-17,22-23H,1-5,10-13,18-20H2,(H,32,37)(H,38,39)
Affinity DataKi:  0.280nMAssay Description:Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cellsChecked by AuthorMore data for this Ligand-Target Pair
TargetGastrin/cholecystokinin type B receptor(Dog)
James Black Foundation

Curated by ChEMBL
LigandPNGBDBM50411340(CHEMBL387948)
Show SMILES OC(=O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C31H36N4O5/c36-27(22-10-4-5-11-22)19-34-26-16-7-6-15-25(26)30(23-12-2-1-3-13-23)33-35(31(34)40)20-28(37)32-24-14-8-9-21(17-24)18-29(38)39/h6-9,14-17,22-23H,1-5,10-13,18-20H2,(H,32,37)(H,38,39)
Affinity DataKi:  6.30nMAssay Description:Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosaChecked by AuthorMore data for this Ligand-Target Pair
TargetCholecystokinin receptor type A(Homo sapiens (Human))
James Black Foundation

Curated by ChEMBL
LigandPNGBDBM50411340(CHEMBL387948)
Show SMILES OC(=O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C31H36N4O5/c36-27(22-10-4-5-11-22)19-34-26-16-7-6-15-25(26)30(23-12-2-1-3-13-23)33-35(31(34)40)20-28(37)32-24-14-8-9-21(17-24)18-29(38)39/h6-9,14-17,22-23H,1-5,10-13,18-20H2,(H,32,37)(H,38,39)
Affinity DataKi: <1.00E+4nMAssay Description:Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in CHOK1 cellsChecked by AuthorMore data for this Ligand-Target Pair