BDBM50325858 CHEMBL1223954::endo-3-((1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ylthio)benzamide

SMILES: NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1

InChI Key: InChIKey=HBVXHJWHKVRGLG-RUYXUALKSA-N

Data: 4 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 4 hits for monomerid = 50325858   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50325858 (CHEMBL1223954 | endo-3-((1R,5S)-8-benzyl-8-azabicy...) Show SMILES NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12| Show InChI InChI=1S/C21H24N2OS/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20H,9-10,12-14H2,(H2,22,24)/t17-,18+,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 5405-10 (2010) Article DOI: 10.1016/j.bmcl.2010.07.112 BindingDB Entry DOI: 10.7270/Q2X92BHQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50325858 (CHEMBL1223954 | endo-3-((1R,5S)-8-benzyl-8-azabicy...) Show SMILES NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12| Show InChI InChI=1S/C21H24N2OS/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20H,9-10,12-14H2,(H2,22,24)/t17-,18+,20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ERG by electrophysiology assay				Bioorg Med Chem Lett 20: 5405-10 (2010) Article DOI: 10.1016/j.bmcl.2010.07.112 BindingDB Entry DOI: 10.7270/Q2X92BHQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50325858 (CHEMBL1223954 | endo-3-((1R,5S)-8-benzyl-8-azabicy...) Show SMILES NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12| Show InChI InChI=1S/C21H24N2OS/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20H,9-10,12-14H2,(H2,22,24)/t17-,18+,20+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 5405-10 (2010) Article DOI: 10.1016/j.bmcl.2010.07.112 BindingDB Entry DOI: 10.7270/Q2X92BHQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50325858 (CHEMBL1223954 | endo-3-((1R,5S)-8-benzyl-8-azabicy...) Show SMILES NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12| Show InChI InChI=1S/C21H24N2OS/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20H,9-10,12-14H2,(H2,22,24)/t17-,18+,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	338	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor expressed in HEK cells assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 5405-10 (2010) Article DOI: 10.1016/j.bmcl.2010.07.112 BindingDB Entry DOI: 10.7270/Q2X92BHQ
					More data for this Ligand-Target Pair