BDBM50318701 CHEMBL1083659::MK-4305::[(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1
InChI Key InChIKey=JYTNQNCOQXFQPK-MRXNPFEDSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 22 hits for monomerid = 50318701
Affinity DataKi: 0.350nMAssay Description:Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 0.398nMAssay Description:Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-typ...More data for this Ligand-Target Pair
Affinity DataKi: 0.400nMAssay Description:Binding affinity to orexin receptor 2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 0.400nMAssay Description:Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Affinity DataKi: 0.550nMAssay Description:Displacement of [3H](S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in C...More data for this Ligand-Target Pair
Affinity DataKi: 0.550nMAssay Description:Displacement of [3H]N-cyclobutyl-5-methyl-N-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R expre...More data for this Ligand-Target Pair
Affinity DataKi: 0.600nMAssay Description:Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Affinity DataKi: 0.600nMAssay Description:Binding affinity to orexin receptor 1 (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 0.794nMAssay Description:Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-typ...More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Mus musculus)
Novartis Institutes For Biomedical Research
Curated by ChEMBL
Novartis Institutes For Biomedical Research
Curated by ChEMBL
Affinity DataKi: 1.70nMAssay Description:Antagonist activity at mouse OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...More data for this Ligand-Target Pair
Affinity DataKi: 3.10nMAssay Description:Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assayMore data for this Ligand-Target Pair
TargetOrexin receptor type 2(Mus musculus)
Novartis Institutes For Biomedical Research
Curated by ChEMBL
Novartis Institutes For Biomedical Research
Curated by ChEMBL
Affinity DataKi: 8.70nMAssay Description:Antagonist activity at mouse OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...More data for this Ligand-Target Pair
Affinity DataKi: 12nMAssay Description:Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 56nMAssay Description:Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium mobilization after 5 mins b...More data for this Ligand-Target Pair
Affinity DataIC50: 138nMAssay Description:Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...More data for this Ligand-Target Pair
Affinity DataIC50: 199nMAssay Description:Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...More data for this Ligand-Target Pair
Affinity DataIC50: 56nMAssay Description:Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assayMore data for this Ligand-Target Pair
Affinity DataIC50: 0.400nMAssay Description:Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...More data for this Ligand-Target Pair
Affinity DataIC50: 50nMAssay Description:Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assayMore data for this Ligand-Target Pair
Affinity DataIC50: 50nMAssay Description:Antagonist activity at OX1R (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 56nMAssay Description:Antagonist activity at OX2R (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 50nMAssay Description:Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium mobilization after 5 mins b...More data for this Ligand-Target Pair