BDBM50260985 CHEMBL4100428

SMILES: CCN([C@@H](C)Cn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1

InChI Key: InChIKey=UCTMYARPCLQYDJ-KRWDZBQOSA-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 = 50260985   

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))	BDBM50260985 (CHEMBL4100428) Show SMILES CCN([C@@H](C)Cn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C23H24FN7O/c1-4-30(23(32)19-13-16(2)5-8-22(19)31-26-10-11-27-31)17(3)15-29-12-9-21(28-29)20-7-6-18(24)14-25-20/h5-14,17H,4,15H2,1-3H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...				Bioorg Med Chem 25: 5203-5215 (2017) Article DOI: 10.1016/j.bmc.2017.07.051 BindingDB Entry DOI: 10.7270/Q2D50QD4
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50260985 (CHEMBL4100428) Show SMILES CCN([C@@H](C)Cn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C23H24FN7O/c1-4-30(23(32)19-13-16(2)5-8-22(19)31-26-10-11-27-31)17(3)15-29-12-9-21(28-29)20-7-6-18(24)14-25-20/h5-14,17H,4,15H2,1-3H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...				Bioorg Med Chem 25: 5203-5215 (2017) Article DOI: 10.1016/j.bmc.2017.07.051 BindingDB Entry DOI: 10.7270/Q2D50QD4
					More data for this Ligand-Target Pair