BDBM50447785 CHEMBL3113771::US9242970, 393

SMILES: COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2sc(C)nc2c1

InChI Key: InChIKey=PGAMEEPCGOUJEZ-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50447785   

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))	BDBM50447785 (CHEMBL3113771 | US9242970, 393) Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2sc(C)nc2c1 Show InChI InChI=1S/C22H24N2O3S/c1-13-10-17(21-18(26-3)6-5-7-19(21)27-4)24(22(13)25)12-15-8-9-20-16(11-15)23-14(2)28-20/h5-9,11,13,17H,10,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...				US Patent US9242970 (2016) BindingDB Entry DOI: 10.7270/Q2R49PK4
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50447785 (CHEMBL3113771 | US9242970, 393) Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2sc(C)nc2c1 Show InChI InChI=1S/C22H24N2O3S/c1-13-10-17(21-18(26-3)6-5-7-19(21)27-4)24(22(13)25)12-15-8-9-20-16(11-15)23-14(2)28-20/h5-9,11,13,17H,10,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50447785 (CHEMBL3113771 | US9242970, 393) Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2sc(C)nc2c1 Show InChI InChI=1S/C22H24N2O3S/c1-13-10-17(21-18(26-3)6-5-7-19(21)27-4)24(22(13)25)12-15-8-9-20-16(11-15)23-14(2)28-20/h5-9,11,13,17H,10,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50447785 (CHEMBL3113771 | US9242970, 393) Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2sc(C)nc2c1 Show InChI InChI=1S/C22H24N2O3S/c1-13-10-17(21-18(26-3)6-5-7-19(21)27-4)24(22(13)25)12-15-8-9-20-16(11-15)23-14(2)28-20/h5-9,11,13,17H,10,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...				US Patent US9242970 (2016) BindingDB Entry DOI: 10.7270/Q2R49PK4
					More data for this Ligand-Target Pair