BDBM123342 US8742106, 1.46

SMILES: COc1cccc(c1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F

InChI Key: InChIKey=XICVVFDXUOCBKP-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 = 123342   

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))	BDBM123342 (US8742106, 1.46) Show SMILES COc1cccc(c1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-10-7-11-18(12-17)34-3)29-20(33)14-35-21-13-19(25(26,27)28)22-23(16-8-5-4-6-9-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	20	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 2 (Homo sapiens (Human))	BDBM123342 (US8742106, 1.46) Show SMILES COc1cccc(c1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-10-7-11-18(12-17)34-3)29-20(33)14-35-21-13-19(25(26,27)28)22-23(16-8-5-4-6-9-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	26	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))	BDBM123342 (US8742106, 1.46) Show SMILES COc1cccc(c1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-10-7-11-18(12-17)34-3)29-20(33)14-35-21-13-19(25(26,27)28)22-23(16-8-5-4-6-9-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	42	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))	BDBM123342 (US8742106, 1.46) Show SMILES COc1cccc(c1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-10-7-11-18(12-17)34-3)29-20(33)14-35-21-13-19(25(26,27)28)22-23(16-8-5-4-6-9-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)	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	101	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