Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50015564   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50157686 (5-[({5-[(2S)-2-({2-[(2S)-2-amino-3-(4-hydroxy-2,6-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(O)=O)C(=O)NCCCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 Show InChI InChI=1S/C52H54N6O11S/c1-28-20-35(61)21-29(2)39(28)26-41(53)50(66)58-27-31-9-5-4-8-30(31)22-43(58)49(65)57-42(16-17-46(62)63)48(64)54-18-6-3-7-19-55-52(70)56-32-10-13-36(40(23-32)51(67)68)47-37-14-11-33(59)24-44(37)69-45-25-34(60)12-15-38(45)47/h4-5,8-15,20-21,23-25,41-43,59,61H,3,6-7,16-19,22,26-27,53H2,1-2H3,(H,54,64)(H,57,65)(H,62,63)(H,67,68)(H2,55,56,70)/t41-,42-,43?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliary Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in rat brain synaptosomes P2 fraction				J Med Chem 47: 6541-6 (2004) Article DOI: 10.1021/jm040128h BindingDB Entry DOI: 10.7270/Q28W3CS2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50157684 (CHEMBL2369958 | H-Dmt-Tic-Glu-NH2) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O Show InChI InChI=1S/C26H32N4O6/c1-14-9-18(31)10-15(2)19(14)12-20(27)26(36)30-13-17-6-4-3-5-16(17)11-22(30)25(35)29-21(24(28)34)7-8-23(32)33/h3-6,9-10,20-22,31H,7-8,11-13,27H2,1-2H3,(H2,28,34)(H,29,35)(H,32,33)/t20-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliary Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in rat brain synaptosomes P2 fraction				J Med Chem 47: 6541-6 (2004) Article DOI: 10.1021/jm040128h BindingDB Entry DOI: 10.7270/Q28W3CS2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50157685 (CHEMBL225479 | H-Dmt-Tic-Glu-NH-(CH2)5-NH2) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(O)=O)C(=O)NCCCCCN Show InChI InChI=1S/C31H43N5O6/c1-19-14-23(37)15-20(2)24(19)17-25(33)31(42)36-18-22-9-5-4-8-21(22)16-27(36)30(41)35-26(10-11-28(38)39)29(40)34-13-7-3-6-12-32/h4-5,8-9,14-15,25-27,37H,3,6-7,10-13,16-18,32-33H2,1-2H3,(H,34,40)(H,35,41)(H,38,39)/t25-,26-,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliary Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in rat brain synaptosomes P2 fraction				J Med Chem 47: 6541-6 (2004) Article DOI: 10.1021/jm040128h BindingDB Entry DOI: 10.7270/Q28W3CS2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50157686 (5-[({5-[(2S)-2-({2-[(2S)-2-amino-3-(4-hydroxy-2,6-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(O)=O)C(=O)NCCCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 Show InChI InChI=1S/C52H54N6O11S/c1-28-20-35(61)21-29(2)39(28)26-41(53)50(66)58-27-31-9-5-4-8-30(31)22-43(58)49(65)57-42(16-17-46(62)63)48(64)54-18-6-3-7-19-55-52(70)56-32-10-13-36(40(23-32)51(67)68)47-37-14-11-33(59)24-44(37)69-45-25-34(60)12-15-38(45)47/h4-5,8-15,20-21,23-25,41-43,59,61H,3,6-7,16-19,22,26-27,53H2,1-2H3,(H,54,64)(H,57,65)(H,62,63)(H,67,68)(H2,55,56,70)/t41-,42-,43?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliary Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain synaptosomes P2 fraction				J Med Chem 47: 6541-6 (2004) Article DOI: 10.1021/jm040128h BindingDB Entry DOI: 10.7270/Q28W3CS2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50157685 (CHEMBL225479 | H-Dmt-Tic-Glu-NH-(CH2)5-NH2) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(O)=O)C(=O)NCCCCCN Show InChI InChI=1S/C31H43N5O6/c1-19-14-23(37)15-20(2)24(19)17-25(33)31(42)36-18-22-9-5-4-8-21(22)16-27(36)30(41)35-26(10-11-28(38)39)29(40)34-13-7-3-6-12-32/h4-5,8-9,14-15,25-27,37H,3,6-7,10-13,16-18,32-33H2,1-2H3,(H,34,40)(H,35,41)(H,38,39)/t25-,26-,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliary Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain synaptosomes P2 fraction				J Med Chem 47: 6541-6 (2004) Article DOI: 10.1021/jm040128h BindingDB Entry DOI: 10.7270/Q28W3CS2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50157684 (CHEMBL2369958 | H-Dmt-Tic-Glu-NH2) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O Show InChI InChI=1S/C26H32N4O6/c1-14-9-18(31)10-15(2)19(14)12-20(27)26(36)30-13-17-6-4-3-5-16(17)11-22(30)25(35)29-21(24(28)34)7-8-23(32)33/h3-6,9-10,20-22,31H,7-8,11-13,27H2,1-2H3,(H2,28,34)(H,29,35)(H,32,33)/t20-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliary Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain synaptosomes P2 fraction				J Med Chem 47: 6541-6 (2004) Article DOI: 10.1021/jm040128h BindingDB Entry DOI: 10.7270/Q28W3CS2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50157684 (CHEMBL2369958 | H-Dmt-Tic-Glu-NH2) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O Show InChI InChI=1S/C26H32N4O6/c1-14-9-18(31)10-15(2)19(14)12-20(27)26(36)30-13-17-6-4-3-5-16(17)11-22(30)25(35)29-21(24(28)34)7-8-23(32)33/h3-6,9-10,20-22,31H,7-8,11-13,27H2,1-2H3,(H2,28,34)(H,29,35)(H,32,33)/t20-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliary Curated by ChEMBL					Assay Description Agonistic activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked twitch				J Med Chem 47: 6541-6 (2004) Article DOI: 10.1021/jm040128h BindingDB Entry DOI: 10.7270/Q28W3CS2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50157684 (CHEMBL2369958 | H-Dmt-Tic-Glu-NH2) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O Show InChI InChI=1S/C26H32N4O6/c1-14-9-18(31)10-15(2)19(14)12-20(27)26(36)30-13-17-6-4-3-5-16(17)11-22(30)25(35)29-21(24(28)34)7-8-23(32)33/h3-6,9-10,20-22,31H,7-8,11-13,27H2,1-2H3,(H2,28,34)(H,29,35)(H,32,33)/t20-,21-,22-/m0/s1	UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliary Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically evoked twitch				J Med Chem 47: 6541-6 (2004) Article DOI: 10.1021/jm040128h BindingDB Entry DOI: 10.7270/Q28W3CS2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50157685 (CHEMBL225479 | H-Dmt-Tic-Glu-NH-(CH2)5-NH2) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(O)=O)C(=O)NCCCCCN Show InChI InChI=1S/C31H43N5O6/c1-19-14-23(37)15-20(2)24(19)17-25(33)31(42)36-18-22-9-5-4-8-21(22)16-27(36)30(41)35-26(10-11-28(38)39)29(40)34-13-7-3-6-12-32/h4-5,8-9,14-15,25-27,37H,3,6-7,10-13,16-18,32-33H2,1-2H3,(H,34,40)(H,35,41)(H,38,39)/t25-,26-,27?/m0/s1	UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliary Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically evoked twitch				J Med Chem 47: 6541-6 (2004) Article DOI: 10.1021/jm040128h BindingDB Entry DOI: 10.7270/Q28W3CS2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50157686 (5-[({5-[(2S)-2-({2-[(2S)-2-amino-3-(4-hydroxy-2,6-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(O)=O)C(=O)NCCCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 Show InChI InChI=1S/C52H54N6O11S/c1-28-20-35(61)21-29(2)39(28)26-41(53)50(66)58-27-31-9-5-4-8-30(31)22-43(58)49(65)57-42(16-17-46(62)63)48(64)54-18-6-3-7-19-55-52(70)56-32-10-13-36(40(23-32)51(67)68)47-37-14-11-33(59)24-44(37)69-45-25-34(60)12-15-38(45)47/h4-5,8-15,20-21,23-25,41-43,59,61H,3,6-7,16-19,22,26-27,53H2,1-2H3,(H,54,64)(H,57,65)(H,62,63)(H,67,68)(H2,55,56,70)/t41-,42-,43?/m0/s1	UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliary Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically evoked twitch				J Med Chem 47: 6541-6 (2004) Article DOI: 10.1021/jm040128h BindingDB Entry DOI: 10.7270/Q28W3CS2
					More data for this Ligand-Target Pair