BDBM50013195 CHEMBL140749::Thiophene-3-carboxylic acid [5-(2-fluoro-phenyl)-1-methyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-amide

SMILES CN1C(CNC(=O)c2ccsc2)CNC(c2ccccc2F)c2ccccc12

InChI Key InChIKey=ABRBWCSLFALRPE-UHFFFAOYSA-N

Data  3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50013195   

LigandPNGBDBM50013195(CHEMBL140749 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CNC(c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H22FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16,21,24H,12-13H2,1H3,(H,25,27)
Affinity DataIC50: 30nMAssay Description:Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptorsMore data for this Ligand-Target Pair
TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50013195(CHEMBL140749 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CNC(c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H22FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16,21,24H,12-13H2,1H3,(H,25,27)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissuesMore data for this Ligand-Target Pair
TargetCholecystokinin receptor type A(RAT)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50013195(CHEMBL140749 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CNC(c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H22FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16,21,24H,12-13H2,1H3,(H,25,27)
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreasMore data for this Ligand-Target Pair