Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50035482   

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
Mu-type opioid receptor (GUINEA PIG)	BDBM50304493 (CHEMBL595972 | Tyr-D-Ala-Gly-Phe-Met-NH2 | Tyr-DAl...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C28H38N6O6S/c1-17(32-27(39)21(29)14-19-8-10-20(35)11-9-19)26(38)31-16-24(36)33-23(15-18-6-4-3-5-7-18)28(40)34-22(25(30)37)12-13-41-2/h3-11,17,21-23,35H,12-16,29H2,1-2H3,(H2,30,37)(H,31,38)(H,32,39)(H,33,36)(H,34,40)/t17-,21+,22+,23+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Mu opioid receptor agonist activity as inhibition of electrically stimulated mysenteric plexus in guinea pig ileum				J Med Chem 25: 1423-7 (1983) BindingDB Entry DOI: 10.7270/Q2NG4R56
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Mu opioid receptor agonist activity as inhibition of electrically stimulated mysenteric plexus in guinea pig ileum				J Med Chem 25: 1423-7 (1983) BindingDB Entry DOI: 10.7270/Q2NG4R56
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50367062 (METAZOCINE) Show SMILES C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C |THB:16:15:1:4.10.3| Show InChI InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14-,15+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Mu opioid receptor agonist activity as inhibition of electrically stimulated mysenteric plexus in guinea pig ileum				J Med Chem 25: 1423-7 (1983) BindingDB Entry DOI: 10.7270/Q2NG4R56
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50028653 ((+)-8-Hydroxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahyd...) Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CC(C#N)N2C |THB:0:1:17.13.14:10.3.4| Show InChI InChI=1S/C16H20N2O/c1-10-15-6-11-4-5-13(19)7-14(11)16(10,2)8-12(9-17)18(15)3/h4-5,7,10,12,15,19H,6,8H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Mu opioid receptor agonist activity as inhibition of electrically stimulated mysenteric plexus in guinea pig ileum				J Med Chem 25: 1423-7 (1983) BindingDB Entry DOI: 10.7270/Q2NG4R56
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50028653 ((+)-8-Hydroxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahyd...) Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CC(C#N)N2C |THB:0:1:17.13.14:10.3.4| Show InChI InChI=1S/C16H20N2O/c1-10-15-6-11-4-5-13(19)7-14(11)16(10,2)8-12(9-17)18(15)3/h4-5,7,10,12,15,19H,6,8H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Mu opioid receptor agonist activity as inhibition of electrically stimulated mysenteric plexus in guinea pig ileum				J Med Chem 25: 1423-7 (1983) BindingDB Entry DOI: 10.7270/Q2NG4R56
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50028655 (8-Hydroxy-3,6,11-trimethyl-3,4,5,6-tetrahydro-1H-2...) Show SMILES CC1C2(C)CCN(C)C1(Cc1ccc(O)cc21)C(N)=O |TLB:0:1:16.9.10:6.4.5| Show InChI InChI=1S/C16H22N2O2/c1-10-15(2)6-7-18(3)16(10,14(17)20)9-11-4-5-12(19)8-13(11)15/h4-5,8,10,19H,6-7,9H2,1-3H3,(H2,17,20)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Mu opioid receptor agonist activity as inhibition of electrically stimulated mysenteric plexus in guinea pig ileum				J Med Chem 25: 1423-7 (1983) BindingDB Entry DOI: 10.7270/Q2NG4R56
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50028654 ((+)-8-Hydroxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahyd...) Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CC(N2C)C(N)=O |THB:0:1:15.14.13:10.3.4| Show InChI InChI=1S/C16H22N2O2/c1-9-13-6-10-4-5-11(19)7-12(10)16(9,2)8-14(15(17)20)18(13)3/h4-5,7,9,13-14,19H,6,8H2,1-3H3,(H2,17,20)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Mu opioid receptor agonist activity as inhibition of electrically stimulated mysenteric plexus in guinea pig ileum				J Med Chem 25: 1423-7 (1983) BindingDB Entry DOI: 10.7270/Q2NG4R56
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50028652 ((+)-8-Hydroxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahyd...) Show SMILES CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C1CC2(C)C(C)C(Cc3ccc(O)cc23)N1C)C(N)=O |r,THB:32:31:42.27.28:41.34.35| Show InChI InChI=1S/C34H46N6O6S/c1-20-27-15-22-10-11-23(41)16-24(22)34(20,2)17-28(40(27)3)33(46)37-18-29(42)36-19-30(43)38-26(14-21-8-6-5-7-9-21)32(45)39-25(31(35)44)12-13-47-4/h5-11,16,20,25-28,41H,12-15,17-19H2,1-4H3,(H2,35,44)(H,36,42)(H,37,46)(H,38,43)(H,39,45)/t20?,25-,26+,27?,28?,34?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Mu opioid receptor agonist activity as inhibition of electrically stimulated mysenteric plexus in guinea pig ileum				J Med Chem 25: 1423-7 (1983) BindingDB Entry DOI: 10.7270/Q2NG4R56
					More data for this Ligand-Target Pair