BDBM50029062 CHEMBL3343257

SMILES: COc1ccc(OC[C@]2(C[C@H]2C(=O)c2nc3cc(F)ccc3[nH]2)c2ccccc2)cc1OC

InChI Key: InChIKey=DCXCEUKPSICRBJ-AFMDSPMNSA-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 = 50029062   

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))	BDBM50029062 (CHEMBL3343257) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)c2nc3cc(F)ccc3[nH]2)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C26H23FN2O4/c1-31-22-11-9-18(13-23(22)32-2)33-15-26(16-6-4-3-5-7-16)14-19(26)24(30)25-28-20-10-8-17(27)12-21(20)29-25/h3-13,19H,14-15H2,1-2H3,(H,28,29)/t19-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50029062 (CHEMBL3343257) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)c2nc3cc(F)ccc3[nH]2)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C26H23FN2O4/c1-31-22-11-9-18(13-23(22)32-2)33-15-26(16-6-4-3-5-7-16)14-19(26)24(30)25-28-20-10-8-17(27)12-21(20)29-25/h3-13,19H,14-15H2,1-2H3,(H,28,29)/t19-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair