BDBM65831 KSC-5-250B::KUC103907N::N-(2-isoindolin-2-ylethyl)-4-[(mesitylsulfonylamino)methyl]benzamide::N-[2-(1,3-dihydroisoindol-2-yl)ethyl]-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]benzamide::cid_44601478

SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1

InChI Key: InChIKey=OABOHMUFTWQVJV-UHFFFAOYSA-N

Data: 1 IC50  4 EC50

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 = 65831   

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))	BDBM65831 (KSC-5-250B | KUC103907N | N-(2-isoindolin-2-ylethy...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1 Show InChI InChI=1S/C27H31N3O3S/c1-19-14-20(2)26(21(3)15-19)34(32,33)29-16-22-8-10-23(11-9-22)27(31)28-12-13-30-17-24-6-4-5-7-25(24)18-30/h4-11,14-15,29H,12-13,16-18H2,1-3H3,(H,28,31)	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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2X63KC5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM65831 (KSC-5-250B | KUC103907N | N-(2-isoindolin-2-ylethy...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1 Show InChI InChI=1S/C27H31N3O3S/c1-19-14-20(2)26(21(3)15-19)34(32,33)29-16-22-8-10-23(11-9-22)27(31)28-12-13-30-17-24-6-4-5-7-25(24)18-30/h4-11,14-15,29H,12-13,16-18H2,1-3H3,(H,28,31)	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	n/a	n/a	>3.20E+4	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/Q2SF2TNF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM65831 (KSC-5-250B | KUC103907N | N-(2-isoindolin-2-ylethy...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1 Show InChI InChI=1S/C27H31N3O3S/c1-19-14-20(2)26(21(3)15-19)34(32,33)29-16-22-8-10-23(11-9-22)27(31)28-12-13-30-17-24-6-4-5-7-25(24)18-30/h4-11,14-15,29H,12-13,16-18H2,1-3H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.97E+3	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/Q2D50KDG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM65831 (KSC-5-250B | KUC103907N | N-(2-isoindolin-2-ylethy...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1 Show InChI InChI=1S/C27H31N3O3S/c1-19-14-20(2)26(21(3)15-19)34(32,33)29-16-22-8-10-23(11-9-22)27(31)28-12-13-30-17-24-6-4-5-7-25(24)18-30/h4-11,14-15,29H,12-13,16-18H2,1-3H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.20E+4	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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2HX1B4W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM65831 (KSC-5-250B | KUC103907N | N-(2-isoindolin-2-ylethy...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1 Show InChI InChI=1S/C27H31N3O3S/c1-19-14-20(2)26(21(3)15-19)34(32,33)29-16-22-8-10-23(11-9-22)27(31)28-12-13-30-17-24-6-4-5-7-25(24)18-30/h4-11,14-15,29H,12-13,16-18H2,1-3H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.20E+4	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/Q2NP22WN
					More data for this Ligand-Target Pair