BDBM50384431 CHEMBL2031494

SMILES O[C@@H]1CCN([C@H](CNC(=O)c2cccc3cccnc23)C1)C(=O)c1ccccc1-c1ccccc1

InChI Key InChIKey=AJFSMUYBHCAWKT-XZOQPEGZSA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50384431   

TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50384431(CHEMBL2031494)
Show SMILES O[C@@H]1CCN([C@H](CNC(=O)c2cccc3cccnc23)C1)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C29H27N3O3/c33-23-15-17-32(29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20)22(18-23)19-31-28(34)26-14-6-10-21-11-7-16-30-27(21)26/h1-14,16,22-23,33H,15,17-19H2,(H,31,34)/t22-,23+/m0/s1
Affinity DataIC50: 40nMAssay Description:Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...More data for this Ligand-Target Pair
TargetOrexin receptor type 2(Homo sapiens (Human))
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50384431(CHEMBL2031494)
Show SMILES O[C@@H]1CCN([C@H](CNC(=O)c2cccc3cccnc23)C1)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C29H27N3O3/c33-23-15-17-32(29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20)22(18-23)19-31-28(34)26-14-6-10-21-11-7-16-30-27(21)26/h1-14,16,22-23,33H,15,17-19H2,(H,31,34)/t22-,23+/m0/s1
Affinity DataIC50: 62nMAssay Description:Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...More data for this Ligand-Target Pair