BDBM123323 US8742106, 1.2

SMILES: C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1

InChI Key: InChIKey=KFHGSCZEZXGFSX-AWEZNQCLSA-N

Data: 2 KI  4 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 6 hits for monomerid = 123323   

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))	BDBM123323 (US8742106, 1.2) Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	43	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))	BDBM123323 (US8742106, 1.2) Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	200	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))	BDBM123323 (US8742106, 1.2) Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1	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	187	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 1 (Homo sapiens (Human))	BDBM123323 (US8742106, 1.2) Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	299	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 1 (Homo sapiens (Human))	BDBM123323 (US8742106, 1.2) Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	161	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))	BDBM123323 (US8742106, 1.2) Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1	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	181	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