Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50035092   

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
Delta-type opioid receptor (Rattus norvegicus (rat))	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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]p-CI-DPDPE in C6 glioma cells expressing the cloned Opioid receptor delta 1				Bioorg Med Chem Lett 10: 2449-51 (2001) BindingDB Entry DOI: 10.7270/Q20K2939
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	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	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]DAMGO in C6 glioma cells expressing the cloned Opioid receptor mu 1				Bioorg Med Chem Lett 10: 2449-51 (2001) BindingDB Entry DOI: 10.7270/Q20K2939
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	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	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]U-69593 in CHO cells expressing the cloned Opioid receptor kappa 1				Bioorg Med Chem Lett 10: 2449-51 (2001) BindingDB Entry DOI: 10.7270/Q20K2939
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50093785 (CHEMBL80116 | [1,5-3H]-17-Cyclohexylethyl-6,7-dehy...) Show SMILES Oc1ccc2C[C@H]3N(CCC4CCCCC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |THB:8:7:33:22.4.5| Show InChI InChI=1S/C30H34N2O3/c33-23-11-10-19-16-24-30(34)17-21-20-8-4-5-9-22(20)31-26(21)28-29(30,25(19)27(23)35-28)13-15-32(24)14-12-18-6-2-1-3-7-18/h4-5,8-11,18,24,28,31,33-34H,1-3,6-7,12-17H2/t24-,28?,29?,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]DAMGO in C6 glioma cells expressing the cloned Opioid receptor mu 1				Bioorg Med Chem Lett 10: 2449-51 (2001) BindingDB Entry DOI: 10.7270/Q20K2939
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50093784 (CHEMBL79443 | [1,5-3H]-17-Cyclohexylmethyl-6,7-deh...) Show SMILES Oc1ccc2C[C@H]3N(CC4CCCCC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |THB:8:7:32:21.4.5| Show InChI InChI=1S/C29H32N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h4-5,8-11,17,23,27,30,32-33H,1-3,6-7,12-16H2/t23-,27?,28?,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]p-CI-DPDPE in C6 glioma cells expressing the cloned Opioid receptor delta 1				Bioorg Med Chem Lett 10: 2449-51 (2001) BindingDB Entry DOI: 10.7270/Q20K2939
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50093783 (CHEMBL81355 | [1,5-3H]-17-Benzyl-6,7-dehydro-4,5a ...) Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |THB:8:7:32:21.4.5| Show InChI InChI=1S/C29H26N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h1-11,23,27,30,32-33H,12-16H2/t23-,27?,28?,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]p-CI-DPDPE in C6 glioma cells expressing the cloned Opioid receptor delta 1				Bioorg Med Chem Lett 10: 2449-51 (2001) BindingDB Entry DOI: 10.7270/Q20K2939
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50093783 (CHEMBL81355 | [1,5-3H]-17-Benzyl-6,7-dehydro-4,5a ...) Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |THB:8:7:32:21.4.5| Show InChI InChI=1S/C29H26N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h1-11,23,27,30,32-33H,12-16H2/t23-,27?,28?,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]U-69593 in CHO cells expressing the cloned Opioid receptor kappa 1				Bioorg Med Chem Lett 10: 2449-51 (2001) BindingDB Entry DOI: 10.7270/Q20K2939
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50093785 (CHEMBL80116 | [1,5-3H]-17-Cyclohexylethyl-6,7-dehy...) Show SMILES Oc1ccc2C[C@H]3N(CCC4CCCCC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |THB:8:7:33:22.4.5| Show InChI InChI=1S/C30H34N2O3/c33-23-11-10-19-16-24-30(34)17-21-20-8-4-5-9-22(20)31-26(21)28-29(30,25(19)27(23)35-28)13-15-32(24)14-12-18-6-2-1-3-7-18/h4-5,8-11,18,24,28,31,33-34H,1-3,6-7,12-17H2/t24-,28?,29?,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]p-CI-DPDPE in C6 glioma cells expressing the cloned Opioid receptor delta 1				Bioorg Med Chem Lett 10: 2449-51 (2001) BindingDB Entry DOI: 10.7270/Q20K2939
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50093785 (CHEMBL80116 | [1,5-3H]-17-Cyclohexylethyl-6,7-dehy...) Show SMILES Oc1ccc2C[C@H]3N(CCC4CCCCC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |THB:8:7:33:22.4.5| Show InChI InChI=1S/C30H34N2O3/c33-23-11-10-19-16-24-30(34)17-21-20-8-4-5-9-22(20)31-26(21)28-29(30,25(19)27(23)35-28)13-15-32(24)14-12-18-6-2-1-3-7-18/h4-5,8-11,18,24,28,31,33-34H,1-3,6-7,12-17H2/t24-,28?,29?,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	378	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]U-69593 in CHO cells expressing the cloned Opioid receptor kappa 1				Bioorg Med Chem Lett 10: 2449-51 (2001) BindingDB Entry DOI: 10.7270/Q20K2939
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50093784 (CHEMBL79443 | [1,5-3H]-17-Cyclohexylmethyl-6,7-deh...) Show SMILES Oc1ccc2C[C@H]3N(CC4CCCCC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |THB:8:7:32:21.4.5| Show InChI InChI=1S/C29H32N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h4-5,8-11,17,23,27,30,32-33H,1-3,6-7,12-16H2/t23-,27?,28?,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]U-69593 in CHO cells expressing the cloned Opioid receptor kappa 1				Bioorg Med Chem Lett 10: 2449-51 (2001) BindingDB Entry DOI: 10.7270/Q20K2939
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50093784 (CHEMBL79443 | [1,5-3H]-17-Cyclohexylmethyl-6,7-deh...) Show SMILES Oc1ccc2C[C@H]3N(CC4CCCCC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |THB:8:7:32:21.4.5| Show InChI InChI=1S/C29H32N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h4-5,8-11,17,23,27,30,32-33H,1-3,6-7,12-16H2/t23-,27?,28?,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]DAMGO in C6 glioma cells expressing the cloned Opioid receptor mu 1				Bioorg Med Chem Lett 10: 2449-51 (2001) BindingDB Entry DOI: 10.7270/Q20K2939
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50093783 (CHEMBL81355 | [1,5-3H]-17-Benzyl-6,7-dehydro-4,5a ...) Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |THB:8:7:32:21.4.5| Show InChI InChI=1S/C29H26N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h1-11,23,27,30,32-33H,12-16H2/t23-,27?,28?,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]DAMGO in C6 glioma cells expressing the cloned Opioid receptor mu 1				Bioorg Med Chem Lett 10: 2449-51 (2001) BindingDB Entry DOI: 10.7270/Q20K2939
					More data for this Ligand-Target Pair