BDBM50411346 CHEMBL226673

SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(CC(O)=O)c2)C1=O)C1CCCCC1

InChI Key InChIKey=TVUIMMHGHOEKIU-UHFFFAOYSA-N

Data  3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50411346   

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

Curated by ChEMBL
LigandPNGBDBM50411346(CHEMBL226673)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(CC(O)=O)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C30H36N4O5/c1-30(2,3)25(35)18-33-24-15-8-7-14-23(24)28(21-11-5-4-6-12-21)32-34(29(33)39)19-26(36)31-22-13-9-10-20(16-22)17-27(37)38/h7-10,13-16,21H,4-6,11-12,17-19H2,1-3H3,(H,31,36)(H,37,38)
Affinity DataKi:  2.10nMAssay 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
LigandPNGBDBM50411346(CHEMBL226673)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(CC(O)=O)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C30H36N4O5/c1-30(2,3)25(35)18-33-24-15-8-7-14-23(24)28(21-11-5-4-6-12-21)32-34(29(33)39)19-26(36)31-22-13-9-10-20(16-22)17-27(37)38/h7-10,13-16,21H,4-6,11-12,17-19H2,1-3H3,(H,31,36)(H,37,38)
Affinity DataKi:  5.20nMAssay 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
LigandPNGBDBM50411346(CHEMBL226673)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(CC(O)=O)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C30H36N4O5/c1-30(2,3)25(35)18-33-24-15-8-7-14-23(24)28(21-11-5-4-6-12-21)32-34(29(33)39)19-26(36)31-22-13-9-10-20(16-22)17-27(37)38/h7-10,13-16,21H,4-6,11-12,17-19H2,1-3H3,(H,31,36)(H,37,38)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in PC3 cellsChecked by AuthorMore data for this Ligand-Target Pair