Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM209922'   

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))	BDBM209922 (6'-Guanidinonaltrindole (6'-GNTI)) Show SMILES NC(N)=Nc1ccc2c3C[C@@]4(O)[C@@H]5Cc6ccc(O)c7O[C@@H](c3[nH]c2c1)[C@]4(CCN5CC1CC1)c67 |wU:10.10,wD:21.20,12.33,26.39,TLB:11:10:29.27.28:34.13.14,9:10:29.27.28:34.13.14,(16.68,-7.05,;16,-5.67,;16.85,-4.39,;14.46,-5.57,;13.77,-4.19,;14.64,-2.88,;13.92,-1.49,;12.36,-1.42,;11.42,-.24,;11.74,1.24,;10.68,2.32,;12.2,2.58,;10.68,3.86,;9.35,4.63,;8.01,3.86,;6.63,4.68,;5.24,3.89,;5.24,2.28,;3.91,1.51,;6.63,1.49,;7.25,.09,;8.78,.12,;10,-.77,;10.08,-2.28,;11.53,-2.68,;12.21,-4.09,;9.35,1.55,;9.03,2.12,;8.9,3.34,;10.03,3.84,;10.35,5.35,;9.2,6.38,;8.73,7.84,;7.7,6.7,;8.01,2.32,)| Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-16-17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,7-8-32(20)12-13-1-2-13)24(35-23)22(17)31-18(16)10-15/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description For antagonist experiments, protein was preincubated with test compounds for 15 min prior to the addition of 100 nM U69,593 and [35S]GTPγS. Reac...				J Biol Chem 288: 22387-98 (2013) Article DOI: 10.1074/jbc.M113.476234 BindingDB Entry DOI: 10.7270/Q25Q4TXZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM209922 (6'-Guanidinonaltrindole (6'-GNTI)) Show SMILES NC(N)=Nc1ccc2c3C[C@@]4(O)[C@@H]5Cc6ccc(O)c7O[C@@H](c3[nH]c2c1)[C@]4(CCN5CC1CC1)c67 |wU:10.10,wD:21.20,12.33,26.39,TLB:11:10:29.27.28:34.13.14,9:10:29.27.28:34.13.14,(16.68,-7.05,;16,-5.67,;16.85,-4.39,;14.46,-5.57,;13.77,-4.19,;14.64,-2.88,;13.92,-1.49,;12.36,-1.42,;11.42,-.24,;11.74,1.24,;10.68,2.32,;12.2,2.58,;10.68,3.86,;9.35,4.63,;8.01,3.86,;6.63,4.68,;5.24,3.89,;5.24,2.28,;3.91,1.51,;6.63,1.49,;7.25,.09,;8.78,.12,;10,-.77,;10.08,-2.28,;11.53,-2.68,;12.21,-4.09,;9.35,1.55,;9.03,2.12,;8.9,3.34,;10.03,3.84,;10.35,5.35,;9.2,6.38,;8.73,7.84,;7.7,6.7,;8.01,2.32,)| Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-16-17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,7-8-32(20)12-13-1-2-13)24(35-23)22(17)31-18(16)10-15/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10.1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description β-Arrestin2 translocation was also studied using the PathHunter® β-arrestin assay in CHO-K1 cells expressing the KOR (DiscoveRx, Fremont, C...				J Biol Chem 288: 22387-98 (2013) Article DOI: 10.1074/jbc.M113.476234 BindingDB Entry DOI: 10.7270/Q25Q4TXZ
					More data for this Ligand-Target Pair