null

SMILES: CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1

InChI Key: InChIKey=CRBYNKYIKPZMAP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50097697   

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 (Rattus norvegicus (rat))	BDBM50097697 (CHEMBL3590193) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1 Show InChI InChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranes				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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50097697 (CHEMBL3590193) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1 Show InChI InChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Binding affinity to delta opioid receptor (unknown origin)				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))	BDBM50097697 (CHEMBL3590193) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1 Show InChI InChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor (unknown origin)				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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50097697 (CHEMBL3590193) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1 Show InChI InChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3	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	258	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 cells assessed as inhibition of U69,593-induced ERK ph...				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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50097697 (CHEMBL3590193) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1 Show InChI InChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3	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	20	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50097697 (CHEMBL3590193) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1 Show InChI InChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3	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	388	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 human kappa opioid receptor expressed in human U2OS cells co-expressing beta-arrestin2 pre-treated for 15 mins before U69...				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