BDBM75580 2-(4-methylphenyl)sulfonyl-N-[2-[(phenylmethyl)-propan-2-yl-amino]ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide::2-(4-methylphenyl)sulfonyl-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide::KSC-11-164-1::KUC105601N::N-[2-[benzyl(isopropyl)amino]ethyl]-2-tosyl-3,4-dihydro-1H-isoquinoline-6-carboxamide::N-[2-[benzyl(propan-2-yl)amino]ethyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide::cid_45479160

SMILES: CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1

InChI Key: InChIKey=UOSIKGNCJCOVJD-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 75580   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM75580 (2-(4-methylphenyl)sulfonyl-N-[2-[(phenylmethyl)-pr...) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1 Show InChI InChI=1S/C29H35N3O3S/c1-22(2)31(20-24-7-5-4-6-8-24)18-16-30-29(33)26-11-12-27-21-32(17-15-25(27)19-26)36(34,35)28-13-9-23(3)10-14-28/h4-14,19,22H,15-18,20-21H2,1-3H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	46.7	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q29S1PHQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM75580 (2-(4-methylphenyl)sulfonyl-N-[2-[(phenylmethyl)-pr...) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1 Show InChI InChI=1S/C29H35N3O3S/c1-22(2)31(20-24-7-5-4-6-8-24)18-16-30-29(33)26-11-12-27-21-32(17-15-25(27)19-26)36(34,35)28-13-9-23(3)10-14-28/h4-14,19,22H,15-18,20-21H2,1-3H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	<3.10	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2028Q01
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM75580 (2-(4-methylphenyl)sulfonyl-N-[2-[(phenylmethyl)-pr...) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1 Show InChI InChI=1S/C29H35N3O3S/c1-22(2)31(20-24-7-5-4-6-8-24)18-16-30-29(33)26-11-12-27-21-32(17-15-25(27)19-26)36(34,35)28-13-9-23(3)10-14-28/h4-14,19,22H,15-18,20-21H2,1-3H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q26Q1VQV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM75580 (2-(4-methylphenyl)sulfonyl-N-[2-[(phenylmethyl)-pr...) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1 Show InChI InChI=1S/C29H35N3O3S/c1-22(2)31(20-24-7-5-4-6-8-24)18-16-30-29(33)26-11-12-27-21-32(17-15-25(27)19-26)36(34,35)28-13-9-23(3)10-14-28/h4-14,19,22H,15-18,20-21H2,1-3H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2G73C59
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM75580 (2-(4-methylphenyl)sulfonyl-N-[2-[(phenylmethyl)-pr...) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1 Show InChI InChI=1S/C29H35N3O3S/c1-22(2)31(20-24-7-5-4-6-8-24)18-16-30-29(33)26-11-12-27-21-32(17-15-25(27)19-26)36(34,35)28-13-9-23(3)10-14-28/h4-14,19,22H,15-18,20-21H2,1-3H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	67.5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2V986J5
					More data for this Ligand-Target Pair