BDBM79912 (4aS,8R,8aS)-2-(3,4-dichlorobenzyl)-1-keto-N-phenyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide::(4aS,8R,8aS)-2-[(3,4-dichlorophenyl)methyl]-1-oxidanylidene-N-phenyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide::(4aS,8R,8aS)-2-[(3,4-dichlorophenyl)methyl]-1-oxo-N-phenyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide::MLS000882858::SMR000525469::cid_24747377

SMILES: Clc1ccc(CN2CC[C@H]3C=CC[C@H]([C@H]3C2=O)C(=O)Nc2ccccc2)cc1Cl

InChI Key: InChIKey=FOEVREDQDHWIBE-BLIXFSHQSA-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 = 79912   

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 1 (Homo sapiens (Human))	BDBM79912 ((4aS,8R,8aS)-2-(3,4-dichlorobenzyl)-1-keto-N-pheny...) Show SMILES Clc1ccc(CN2CC[C@H]3C=CC[C@H]([C@H]3C2=O)C(=O)Nc2ccccc2)cc1Cl |c:10| Show InChI InChI=1S/C23H22Cl2N2O2/c24-19-10-9-15(13-20(19)25)14-27-12-11-16-5-4-8-18(21(16)23(27)29)22(28)26-17-6-2-1-3-7-17/h1-7,9-10,13,16,18,21H,8,11-12,14H2,(H,26,28)/t16-,18-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2WW7G4W
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM79912 ((4aS,8R,8aS)-2-(3,4-dichlorobenzyl)-1-keto-N-pheny...) Show SMILES Clc1ccc(CN2CC[C@H]3C=CC[C@H]([C@H]3C2=O)C(=O)Nc2ccccc2)cc1Cl |c:10| Show InChI InChI=1S/C23H22Cl2N2O2/c24-19-10-9-15(13-20(19)25)14-27-12-11-16-5-4-8-18(21(16)23(27)29)22(28)26-17-6-2-1-3-7-17/h1-7,9-10,13,16,18,21H,8,11-12,14H2,(H,26,28)/t16-,18-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	484	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2S75DTS
					More data for this Ligand-Target Pair