BDBM50233300 CHEMBL4068943

SMILES: [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(Cl)ccc1-n1nccn1

InChI Key: InChIKey=LULPIXQVSHYLQL-OKILXGFUSA-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 = 50233300   

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))	BDBM50233300 (CHEMBL4068943) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(Cl)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H18Cl2N6O2/c23-15-1-3-19(30-25-5-6-26-30)17(7-15)21(31)28-9-13-11-29(12-14(13)10-28)22-27-18-8-16(24)2-4-20(18)32-22/h1-8,13-14H,9-12H2/t13-,14+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...				Bioorg Med Chem Lett 27: 1458-1462 (2017) BindingDB Entry DOI: 10.7270/Q2RR21HX
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50233300 (CHEMBL4068943) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(Cl)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H18Cl2N6O2/c23-15-1-3-19(30-25-5-6-26-30)17(7-15)21(31)28-9-13-11-29(12-14(13)10-28)22-27-18-8-16(24)2-4-20(18)32-22/h1-8,13-14H,9-12H2/t13-,14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...				Bioorg Med Chem Lett 27: 1458-1462 (2017) BindingDB Entry DOI: 10.7270/Q2RR21HX
					More data for this Ligand-Target Pair