BDBM50349228 CHEMBL1808384

SMILES: C[C@]1([C@H]2CN(CCCc3ccccc3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1

InChI Key: InChIKey=INWIOXGUKUPWQZ-ZBYYUNFXSA-N

Data: 3 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 3 hits for monomerid = 50349228   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50349228 (CHEMBL1808384) Show SMILES C[C@]1([C@H]2CN(CCCc3ccccc3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H28N2O2S/c1-22(18-11-6-12-19(14-18)23-27(2,25)26)20-15-24(16-21(20)22)13-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-12,14,20-21,23H,7,10,13,15-16H2,1-2H3/t20-,21+,22+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor by GTP-gamma S binding assay				Bioorg Med Chem Lett 22: 2200-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.099 BindingDB Entry DOI: 10.7270/Q2M90958
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50349228 (CHEMBL1808384) Show SMILES C[C@]1([C@H]2CN(CCCc3ccccc3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H28N2O2S/c1-22(18-11-6-12-19(14-18)23-27(2,25)26)20-15-24(16-21(20)22)13-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-12,14,20-21,23H,7,10,13,15-16H2,1-2H3/t20-,21+,22+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor				Bioorg Med Chem Lett 21: 4608-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.132 BindingDB Entry DOI: 10.7270/Q2FN16J7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50349228 (CHEMBL1808384) Show SMILES C[C@]1([C@H]2CN(CCCc3ccccc3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H28N2O2S/c1-22(18-11-6-12-19(14-18)23-27(2,25)26)20-15-24(16-21(20)22)13-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-12,14,20-21,23H,7,10,13,15-16H2,1-2H3/t20-,21+,22+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor				Bioorg Med Chem Lett 22: 2200-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.099 BindingDB Entry DOI: 10.7270/Q2M90958
					More data for this Ligand-Target Pair