BDBM50436382 CHEMBL2396836

SMILES: CCc1nc(Cl)c2[C@H](CCc3ccc(F)c(F)c3F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1

InChI Key: InChIKey=XHQMKEBDSFVCRN-PGRDOPGGSA-N

Data: 2 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 2 hits for monomerid = 50436382   

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 1 (Homo sapiens (Human))	BDBM50436382 (CHEMBL2396836) Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(F)c(F)c3F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C25H26ClF3N4O/c1-3-19-31-24(26)23-18(12-10-15-9-11-17(27)21(29)20(15)28)32(13-14-33(19)23)22(25(34)30-2)16-7-5-4-6-8-16/h4-9,11,18,22H,3,10,12-14H2,1-2H3,(H,30,34)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50436382 (CHEMBL2396836) Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(F)c(F)c3F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C25H26ClF3N4O/c1-3-19-31-24(26)23-18(12-10-15-9-11-17(27)21(29)20(15)28)32(13-14-33(19)23)22(25(34)30-2)16-7-5-4-6-8-16/h4-9,11,18,22H,3,10,12-14H2,1-2H3,(H,30,34)/t18-,22+/m0/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair