BDBM50108622 CHEMBL3597964::US9403813, 111

SMILES: COc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(Cl)c2OC)c(cc1C)-n1nccn1

InChI Key: InChIKey=JTRBZPNNQMWVFP-KRWDZBQOSA-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 = 50108622   

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))	BDBM50108622 (CHEMBL3597964 | US9403813, 111) Show SMILES COc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(Cl)c2OC)c(cc1C)-n1nccn1 |r| Show InChI InChI=1S/C23H21ClN6O4/c1-13-11-18(30-25-8-9-26-30)15(12-19(13)32-2)23(31)29-10-7-17(29)21-27-22(34-28-21)14-5-4-6-16(24)20(14)33-3/h4-6,8-9,11-12,17H,7,10H2,1-3H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...				US Patent US9403813 (2016) BindingDB Entry DOI: 10.7270/Q2QF8RS2
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50108622 (CHEMBL3597964 | US9403813, 111) Show SMILES COc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(Cl)c2OC)c(cc1C)-n1nccn1 |r| Show InChI InChI=1S/C23H21ClN6O4/c1-13-11-18(30-25-8-9-26-30)15(12-19(13)32-2)23(31)29-10-7-17(29)21-27-22(34-28-21)14-5-4-6-16(24)20(14)33-3/h4-6,8-9,11-12,17H,7,10H2,1-3H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.700	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 human orexin-A-induced calcium flux preincubated for ...				Bioorg Med Chem Lett 25: 2875-87 (2015) BindingDB Entry DOI: 10.7270/Q2BZ67T9
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50108622 (CHEMBL3597964 | US9403813, 111) Show SMILES COc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(Cl)c2OC)c(cc1C)-n1nccn1 |r| Show InChI InChI=1S/C23H21ClN6O4/c1-13-11-18(30-25-8-9-26-30)15(12-19(13)32-2)23(31)29-10-7-17(29)21-27-22(34-28-21)14-5-4-6-16(24)20(14)33-3/h4-6,8-9,11-12,17H,7,10H2,1-3H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	82	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 human orexin-A-induced calcium flux preincubated for ...				Bioorg Med Chem Lett 25: 2875-87 (2015) BindingDB Entry DOI: 10.7270/Q2BZ67T9
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50108622 (CHEMBL3597964 | US9403813, 111) Show SMILES COc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(Cl)c2OC)c(cc1C)-n1nccn1 |r| Show InChI InChI=1S/C23H21ClN6O4/c1-13-11-18(30-25-8-9-26-30)15(12-19(13)32-2)23(31)29-10-7-17(29)21-27-22(34-28-21)14-5-4-6-16(24)20(14)33-3/h4-6,8-9,11-12,17H,7,10H2,1-3H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...				US Patent US9403813 (2016) BindingDB Entry DOI: 10.7270/Q2QF8RS2
					More data for this Ligand-Target Pair