Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM62203'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM62203 (2-(4-ketopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[4-(4...) Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1 Show InChI InChI=1S/C27H31N5O3/c1-35-22-11-9-21(10-12-22)30-18-16-29(17-19-30)14-5-13-28-26(33)20-32-24-7-3-2-6-23(24)31-15-4-8-25(31)27(32)34/h2-4,6-12,15H,5,13-14,16-20H2,1H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.32E+3	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/Q2H70D7S
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM62203 (2-(4-ketopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[4-(4...) Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1 Show InChI InChI=1S/C27H31N5O3/c1-35-22-11-9-21(10-12-22)30-18-16-29(17-19-30)14-5-13-28-26(33)20-32-24-7-3-2-6-23(24)31-15-4-8-25(31)27(32)34/h2-4,6-12,15H,5,13-14,16-20H2,1H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay				Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM62203 (2-(4-ketopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[4-(4...) Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1 Show InChI InChI=1S/C27H31N5O3/c1-35-22-11-9-21(10-12-22)30-18-16-29(17-19-30)14-5-13-28-26(33)20-32-24-7-3-2-6-23(24)31-15-4-8-25(31)27(32)34/h2-4,6-12,15H,5,13-14,16-20H2,1H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.53E+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/Q25T3HZB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM62203 (2-(4-ketopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[4-(4...) Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1 Show InChI InChI=1S/C27H31N5O3/c1-35-22-11-9-21(10-12-22)30-18-16-29(17-19-30)14-5-13-28-26(33)20-32-24-7-3-2-6-23(24)31-15-4-8-25(31)27(32)34/h2-4,6-12,15H,5,13-14,16-20H2,1H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay				Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM62203 (2-(4-ketopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[4-(4...) Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1 Show InChI InChI=1S/C27H31N5O3/c1-35-22-11-9-21(10-12-22)30-18-16-29(17-19-30)14-5-13-28-26(33)20-32-24-7-3-2-6-23(24)31-15-4-8-25(31)27(32)34/h2-4,6-12,15H,5,13-14,16-20H2,1H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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/Q24T6GTZ
					More data for this Ligand-Target Pair