Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50036244   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against delta-opioid receptor in guinea pig brain membranes				J Med Chem 37: 1886-8 (1994) BindingDB Entry DOI: 10.7270/Q20G3KRG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50038641 (22-cyclopropylmethyl-(2R,13S)-14-oxa-4,22-diazahep...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4c5[nH]c6ccccc6c5C[C@@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C26H26N2O2/c29-20-8-7-15-11-19-23-24-17(16-3-1-2-4-18(16)27-24)12-21-26(23,22(15)25(20)30-21)9-10-28(19)13-14-5-6-14/h1-4,7-8,14,19,21,23,27,29H,5-6,9-13H2/t19-,21+,23-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against delta-opioid receptor in guinea pig brain membranes				J Med Chem 37: 1886-8 (1994) BindingDB Entry DOI: 10.7270/Q20G3KRG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against mu-opioid receptor in guinea pig brain membranes				J Med Chem 37: 1886-8 (1994) BindingDB Entry DOI: 10.7270/Q20G3KRG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50038641 (22-cyclopropylmethyl-(2R,13S)-14-oxa-4,22-diazahep...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4c5[nH]c6ccccc6c5C[C@@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C26H26N2O2/c29-20-8-7-15-11-19-23-24-17(16-3-1-2-4-18(16)27-24)12-21-26(23,22(15)25(20)30-21)9-10-28(19)13-14-5-6-14/h1-4,7-8,14,19,21,23,27,29H,5-6,9-13H2/t19-,21+,23-,26-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against mu-opioid receptor in guinea pig brain membranes				J Med Chem 37: 1886-8 (1994) BindingDB Entry DOI: 10.7270/Q20G3KRG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50038641 (22-cyclopropylmethyl-(2R,13S)-14-oxa-4,22-diazahep...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4c5[nH]c6ccccc6c5C[C@@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C26H26N2O2/c29-20-8-7-15-11-19-23-24-17(16-3-1-2-4-18(16)27-24)12-21-26(23,22(15)25(20)30-21)9-10-28(19)13-14-5-6-14/h1-4,7-8,14,19,21,23,27,29H,5-6,9-13H2/t19-,21+,23-,26-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against kappa-opioid receptor in guinea pig brain membranes				J Med Chem 37: 1886-8 (1994) BindingDB Entry DOI: 10.7270/Q20G3KRG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	332	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against kappa-opioid receptor in guinea pig brain membranes				J Med Chem 37: 1886-8 (1994) BindingDB Entry DOI: 10.7270/Q20G3KRG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50038642 (22-methyl-(2R,13S)-14-oxa-4,22-diazaheptacyclo[13....) Show SMILES CN1CC[C@]23[C@@H]4Cc5c([nH]c6ccccc56)[C@H]2[C@H]1Cc1ccc(O)c(O4)c31 Show InChI InChI=1S/C23H22N2O2/c1-25-9-8-23-18-11-14-13-4-2-3-5-15(13)24-21(14)20(23)16(25)10-12-6-7-17(26)22(27-18)19(12)23/h2-7,16,18,20,24,26H,8-11H2,1H3/t16-,18+,20-,23-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Antagonist activity against mu-opioid receptor in guinea pig ileum in the presence of morphine				J Med Chem 37: 1886-8 (1994) BindingDB Entry DOI: 10.7270/Q20G3KRG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50038642 (22-methyl-(2R,13S)-14-oxa-4,22-diazaheptacyclo[13....) Show SMILES CN1CC[C@]23[C@@H]4Cc5c([nH]c6ccccc56)[C@H]2[C@H]1Cc1ccc(O)c(O4)c31 Show InChI InChI=1S/C23H22N2O2/c1-25-9-8-23-18-11-14-13-4-2-3-5-15(13)24-21(14)20(23)16(25)10-12-6-7-17(26)22(27-18)19(12)23/h2-7,16,18,20,24,26H,8-11H2,1H3/t16-,18+,20-,23-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Antagonist activity against kappa-opioid receptor in guinea pig ileum in the presence of ethylketazocine				J Med Chem 37: 1886-8 (1994) BindingDB Entry DOI: 10.7270/Q20G3KRG
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50038642 (22-methyl-(2R,13S)-14-oxa-4,22-diazaheptacyclo[13....) Show SMILES CN1CC[C@]23[C@@H]4Cc5c([nH]c6ccccc56)[C@H]2[C@H]1Cc1ccc(O)c(O4)c31 Show InChI InChI=1S/C23H22N2O2/c1-25-9-8-23-18-11-14-13-4-2-3-5-15(13)24-21(14)20(23)16(25)10-12-6-7-17(26)22(27-18)19(12)23/h2-7,16,18,20,24,26H,8-11H2,1H3/t16-,18+,20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Antagonist activity against delta-opioid receptor in mouse vas deferens in the presence of DADLE				J Med Chem 37: 1886-8 (1994) BindingDB Entry DOI: 10.7270/Q20G3KRG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Antagonist activity against kappa-opioid receptor in guinea pig ileum in the presence of ethylketazocine				J Med Chem 37: 1886-8 (1994) BindingDB Entry DOI: 10.7270/Q20G3KRG
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50038641 (22-cyclopropylmethyl-(2R,13S)-14-oxa-4,22-diazahep...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4c5[nH]c6ccccc6c5C[C@@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C26H26N2O2/c29-20-8-7-15-11-19-23-24-17(16-3-1-2-4-18(16)27-24)12-21-26(23,22(15)25(20)30-21)9-10-28(19)13-14-5-6-14/h1-4,7-8,14,19,21,23,27,29H,5-6,9-13H2/t19-,21+,23-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Antagonist activity against delta-opioid receptor in mouse vas deferens in the presence of DADLE				J Med Chem 37: 1886-8 (1994) BindingDB Entry DOI: 10.7270/Q20G3KRG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Antagonist activity against mu-opioid receptor in guinea pig ileum in the presence of morphine				J Med Chem 37: 1886-8 (1994) BindingDB Entry DOI: 10.7270/Q20G3KRG
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.59E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Antagonist activity against delta-opioid receptor in mouse vas deferens in the presence of DADLE				J Med Chem 37: 1886-8 (1994) BindingDB Entry DOI: 10.7270/Q20G3KRG
					More data for this Ligand-Target Pair