BDBM50444618 CHEMBL3099886

SMILES: CN1CCc2cc(CNC(=O)c3cc(cnc3-c3cccnc3)-c3cc(C)cc(C)c3)ccc12

InChI Key: InChIKey=XEEPPHMHVMVKLE-UHFFFAOYSA-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 = 50444618   

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))	BDBM50444618 (CHEMBL3099886) Show SMILES CN1CCc2cc(CNC(=O)c3cc(cnc3-c3cccnc3)-c3cc(C)cc(C)c3)ccc12 Show InChI InChI=1S/C29H28N4O/c1-19-11-20(2)13-24(12-19)25-15-26(28(31-18-25)23-5-4-9-30-17-23)29(34)32-16-21-6-7-27-22(14-21)8-10-33(27)3/h4-7,9,11-15,17-18H,8,10,16H2,1-3H3,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50444618 (CHEMBL3099886) Show SMILES CN1CCc2cc(CNC(=O)c3cc(cnc3-c3cccnc3)-c3cc(C)cc(C)c3)ccc12 Show InChI InChI=1S/C29H28N4O/c1-19-11-20(2)13-24(12-19)25-15-26(28(31-18-25)23-5-4-9-30-17-23)29(34)32-16-21-6-7-27-22(14-21)8-10-33(27)3/h4-7,9,11-15,17-18H,8,10,16H2,1-3H3,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	273	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-1 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair