BDBM71580 KSC-5-280B::KUC104161N::N-(2-isoindolin-2-ylethyl)-4-[(tosylamino)methyl]benzamide::N-[2-(1,3-dihydroisoindol-2-yl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide::cid_44620897

SMILES: Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1

InChI Key: InChIKey=BFWSMMGGCFSUAA-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 = 71580   

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))	BDBM71580 (KSC-5-280B | KUC104161N | N-(2-isoindolin-2-ylethy...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1 Show InChI InChI=1S/C25H27N3O3S/c1-19-6-12-24(13-7-19)32(30,31)27-16-20-8-10-21(11-9-20)25(29)26-14-15-28-17-22-4-2-3-5-23(22)18-28/h2-13,27H,14-18H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+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: 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/Q22F7KW2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM71580 (KSC-5-280B | KUC104161N | N-(2-isoindolin-2-ylethy...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1 Show InChI InChI=1S/C25H27N3O3S/c1-19-6-12-24(13-7-19)32(30,31)27-16-20-8-10-21(11-9-20)25(29)26-14-15-28-17-22-4-2-3-5-23(22)18-28/h2-13,27H,14-18H2,1H3,(H,26,29)	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/Q27P8WW4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM71580 (KSC-5-280B | KUC104161N | N-(2-isoindolin-2-ylethy...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1 Show InChI InChI=1S/C25H27N3O3S/c1-19-6-12-24(13-7-19)32(30,31)27-16-20-8-10-21(11-9-20)25(29)26-14-15-28-17-22-4-2-3-5-23(22)18-28/h2-13,27H,14-18H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS bi...				Bioorg Med Chem 23: 3948-56 (2015) Article DOI: 10.1016/j.bmc.2014.12.033 BindingDB Entry DOI: 10.7270/Q2R49SJX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM71580 (KSC-5-280B | KUC104161N | N-(2-isoindolin-2-ylethy...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1 Show InChI InChI=1S/C25H27N3O3S/c1-19-6-12-24(13-7-19)32(30,31)27-16-20-8-10-21(11-9-20)25(29)26-14-15-28-17-22-4-2-3-5-23(22)18-28/h2-13,27H,14-18H2,1H3,(H,26,29)	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	>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/Q26Q1VQV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM71580 (KSC-5-280B | KUC104161N | N-(2-isoindolin-2-ylethy...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1 Show InChI InChI=1S/C25H27N3O3S/c1-19-6-12-24(13-7-19)32(30,31)27-16-20-8-10-21(11-9-20)25(29)26-14-15-28-17-22-4-2-3-5-23(22)18-28/h2-13,27H,14-18H2,1H3,(H,26,29)	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