BDBM50097391 CHEMBL3586422

SMILES: [H][C@@]12CN(C[C@]1([H])CN(C2)c1cnc2ccccc2n1)C(=O)c1ccccc1-c1ccccc1

InChI Key: InChIKey=XCFOXTRGQAEXQS-OYRHEFFESA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50097391   

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))	BDBM50097391 (CHEMBL3586422) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1cnc2ccccc2n1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C27H24N4O/c32-27(23-11-5-4-10-22(23)19-8-2-1-3-9-19)31-17-20-15-30(16-21(20)18-31)26-14-28-24-12-6-7-13-25(24)29-26/h1-14,20-21H,15-18H2/t20-,21+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	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 OX2 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
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50097391 (CHEMBL3586422) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1cnc2ccccc2n1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C27H24N4O/c32-27(23-11-5-4-10-22(23)19-8-2-1-3-9-19)31-17-20-15-30(16-21(20)18-31)26-14-28-24-12-6-7-13-25(24)29-26/h1-14,20-21H,15-18H2/t20-,21+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32E+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