Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50013690   

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 (Mus musculus (Mouse))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse FLAG-tagged kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production pre...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01036 BindingDB Entry DOI: 10.7270/Q2057KP0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse FLAG-tagged kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production pre...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01036 BindingDB Entry DOI: 10.7270/Q2057KP0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50568638 (CHEMBL4871880) Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5cc(O)ccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:28:5:2:10.20.23,11:10:2:7.5.6,21:20:2:7.5.6,18:20:2:7.5.6,22:23:2:7.5.6,THB:6:7:20:2.23.3,24:23:2:7.5.6,8:7:2:10.20.23,9:10:2:7.5.6| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse FLAG-tagged kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production pre...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01036 BindingDB Entry DOI: 10.7270/Q2057KP0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50292340 (AKUAMMICINE | CHEMBL508955) Show SMILES COC(=O)C1[C@H]2C[C@@H]3N(CC[C@]33C1=Nc1ccccc31)C\C2=C\C |r,t:14| Show InChI InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16-17H,8-11H2,1-2H3/b12-3-/t13-,16-,17?,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse FLAG-tagged kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production pre...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01036 BindingDB Entry DOI: 10.7270/Q2057KP0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50292340 (AKUAMMICINE | CHEMBL508955) Show SMILES COC(=O)C1[C@H]2C[C@@H]3N(CC[C@]33C1=Nc1ccccc31)C\C2=C\C |r,t:14| Show InChI InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16-17H,8-11H2,1-2H3/b12-3-/t13-,16-,17?,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse FLAG-tagged kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production pre...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01036 BindingDB Entry DOI: 10.7270/Q2057KP0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50568641 (CHEMBL4852987) Show SMILES [H][C@@]12C[C@@]34c5ccccc5N[C@]3(O1)[C@]1([H])C[C@@]([H])(C(CN21)=CC)[C@@]4(COC(C)=O)C(=O)OC |r,TLB:21:18:15:3.11.23,4:3:15:20.18.19,10:11:15:20.18.19,24:23:15:20.18.19,THB:29:23:15:20.18.19,1:20:15:3.11.23,2:3:15:20.18.19,12:11:15:20.18.19| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse FLAG-tagged kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production pre...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01036 BindingDB Entry DOI: 10.7270/Q2057KP0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50568641 (CHEMBL4852987) Show SMILES [H][C@@]12C[C@@]34c5ccccc5N[C@]3(O1)[C@]1([H])C[C@@]([H])(C(CN21)=CC)[C@@]4(COC(C)=O)C(=O)OC |r,TLB:21:18:15:3.11.23,4:3:15:20.18.19,10:11:15:20.18.19,24:23:15:20.18.19,THB:29:23:15:20.18.19,1:20:15:3.11.23,2:3:15:20.18.19,12:11:15:20.18.19| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse FLAG-tagged kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production pre...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01036 BindingDB Entry DOI: 10.7270/Q2057KP0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50568640 (CHEMBL4874877) Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]1(C2=Nc2ccccc12)[C@]3(COC(C)=O)C(=O)OC)=CC |r,t:13,TLB:29:5:2:10.11.19,18:10:2:7.5.6,12:11:2:7.5.6,20:19:2:7.5.6,THB:25:19:2:7.5.6,8:7:2:10.11.19,9:10:2:7.5.6,6:7:11:2.19.3| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse FLAG-tagged kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production pre...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01036 BindingDB Entry DOI: 10.7270/Q2057KP0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50568640 (CHEMBL4874877) Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]1(C2=Nc2ccccc12)[C@]3(COC(C)=O)C(=O)OC)=CC |r,t:13,TLB:29:5:2:10.11.19,18:10:2:7.5.6,12:11:2:7.5.6,20:19:2:7.5.6,THB:25:19:2:7.5.6,8:7:2:10.11.19,9:10:2:7.5.6,6:7:11:2.19.3| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse FLAG-tagged kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production pre...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01036 BindingDB Entry DOI: 10.7270/Q2057KP0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50568639 (CHEMBL4846243) Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse FLAG-tagged kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production pre...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01036 BindingDB Entry DOI: 10.7270/Q2057KP0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50568639 (CHEMBL4846243) Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse FLAG-tagged kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production pre...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01036 BindingDB Entry DOI: 10.7270/Q2057KP0
					More data for this Ligand-Target Pair