BDBM123340 US8742106, 1.41

SMILES: COc1ccc(CNC(=O)COc2cc(c3c(nn(C)c3n2)-c2ccccc2)C(F)(F)F)cc1

InChI Key: InChIKey=KSZRPNZKQXWNEQ-UHFFFAOYSA-N

Data: 2 KI  2 Kd

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 = 123340   

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))	BDBM123340 (US8742106, 1.41) Show SMILES COc1ccc(CNC(=O)COc2cc(c3c(nn(C)c3n2)-c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H21F3N4O3/c1-31-23-21(22(30-31)16-6-4-3-5-7-16)18(24(25,26)27)12-20(29-23)34-14-19(32)28-13-15-8-10-17(33-2)11-9-15/h3-12H,13-14H2,1-2H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM123340 (US8742106, 1.41) Show SMILES COc1ccc(CNC(=O)COc2cc(c3c(nn(C)c3n2)-c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H21F3N4O3/c1-31-23-21(22(30-31)16-6-4-3-5-7-16)18(24(25,26)27)12-20(29-23)34-14-19(32)28-13-15-8-10-17(33-2)11-9-15/h3-12H,13-14H2,1-2H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM123340 (US8742106, 1.41) Show SMILES COc1ccc(CNC(=O)COc2cc(c3c(nn(C)c3n2)-c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H21F3N4O3/c1-31-23-21(22(30-31)16-6-4-3-5-7-16)18(24(25,26)27)12-20(29-23)34-14-19(32)28-13-15-8-10-17(33-2)11-9-15/h3-12H,13-14H2,1-2H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.24E+3	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123340 (US8742106, 1.41) Show SMILES COc1ccc(CNC(=O)COc2cc(c3c(nn(C)c3n2)-c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H21F3N4O3/c1-31-23-21(22(30-31)16-6-4-3-5-7-16)18(24(25,26)27)12-20(29-23)34-14-19(32)28-13-15-8-10-17(33-2)11-9-15/h3-12H,13-14H2,1-2H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	410	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair