BDBM50260979 CHEMBL4069535

SMILES: CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1

InChI Key: InChIKey=ZKGLIXSQQKFLED-HNNXBMFYSA-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 = 50260979   

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))	BDBM50260979 (CHEMBL4069535) Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN9O/c1-4-29(21(32)17-11-14(2)5-8-19(17)31-24-9-10-25-31)15(3)13-30-27-20(26-28-30)18-7-6-16(22)12-23-18/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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))	BDBM50260979 (CHEMBL4069535) Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN9O/c1-4-29(21(32)17-11-14(2)5-8-19(17)31-24-9-10-25-31)15(3)13-30-27-20(26-28-30)18-7-6-16(22)12-23-18/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	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