null

SMILES: [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccccc2s1)C(=O)c1ccccc1-c1ccccc1

InChI Key: InChIKey=KMRQOILICWFMTR-BGYRXZFFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50092817   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50092817 (CHEMBL3586418) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccccc2s1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C26H23N3OS/c30-25(22-11-5-4-10-21(22)18-8-2-1-3-9-18)28-14-19-16-29(17-20(19)15-28)26-27-23-12-6-7-13-24(23)31-26/h1-13,19-20H,14-17H2/t19-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	687	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50092817 (CHEMBL3586418) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccccc2s1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C26H23N3OS/c30-25(22-11-5-4-10-21(22)18-8-2-1-3-9-18)28-14-19-16-29(17-20(19)15-28)26-27-23-12-6-7-13-24(23)31-26/h1-13,19-20H,14-17H2/t19-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human OX1 receptor				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair