BDBM119539 US8680275, 95

SMILES: Fc1cccc(c1C(=O)N1CC[C@H]2CN([C@H]2C1)c1nccc(n1)C(F)(F)F)-n1nccn1

InChI Key: InChIKey=WZFWVFYIORTRAG-WFASDCNBSA-N

Data: 2 KI

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 = 119539   

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))	BDBM119539 (US8680275, 95) Show SMILES Fc1cccc(c1C(=O)N1CC[C@H]2CN([C@H]2C1)c1nccc(n1)C(F)(F)F)-n1nccn1 |r| Show InChI InChI=1S/C20H17F4N7O/c21-13-2-1-3-14(31-26-7-8-27-31)17(13)18(32)29-9-5-12-10-30(15(12)11-29)19-25-6-4-16(28-19)20(22,23)24/h1-4,6-8,12,15H,5,9-11H2/t12-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	23	-9.68	n/a	n/a	n/a	n/a	n/a	n/a	4
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...				US Patent US8680275 (2014) BindingDB Entry DOI: 10.7270/Q2WH2NPF
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM119539 (US8680275, 95) Show SMILES Fc1cccc(c1C(=O)N1CC[C@H]2CN([C@H]2C1)c1nccc(n1)C(F)(F)F)-n1nccn1 |r| Show InChI InChI=1S/C20H17F4N7O/c21-13-2-1-3-14(31-26-7-8-27-31)17(13)18(32)29-9-5-12-10-30(15(12)11-29)19-25-6-4-16(28-19)20(22,23)24/h1-4,6-8,12,15H,5,9-11H2/t12-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	625	-7.86	n/a	n/a	n/a	n/a	n/a	n/a	4
Janssen Pharmaceutica NV US Patent					Assay Description Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco...				US Patent US8680275 (2014) BindingDB Entry DOI: 10.7270/Q2WH2NPF
					More data for this Ligand-Target Pair