BDBM50097381 CHEMBL3586431

SMILES: [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(OC)cc(OC)n1)C(=O)c1ccccc1-c1cccs1

InChI Key: InChIKey=BHCSNOBCPPLBRX-IYBDPMFKSA-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 = 50097381   

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))	BDBM50097381 (CHEMBL3586431) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(OC)cc(OC)n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C23H24N4O3S/c1-29-20-10-21(30-2)25-23(24-20)27-13-15-11-26(12-16(15)14-27)22(28)18-7-4-3-6-17(18)19-8-5-9-31-19/h3-10,15-16H,11-14H2,1-2H3/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	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))	BDBM50097381 (CHEMBL3586431) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(OC)cc(OC)n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C23H24N4O3S/c1-29-20-10-21(30-2)25-23(24-20)27-13-15-11-26(12-16(15)14-27)22(28)18-7-4-3-6-17(18)19-8-5-9-31-19/h3-10,15-16H,11-14H2,1-2H3/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-((3H)-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2 rec...				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