Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50015296   

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)	BDBM50017698 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...) Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes				J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50154040 (2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1 Show InChI InChI=1S/C25H24N4O2/c26-20(13-16-9-11-19(30)12-10-16)25(31)29-15-18-6-2-1-5-17(18)14-23(29)24-27-21-7-3-4-8-22(21)28-24/h1-12,20,23,30H,13-15,26H2,(H,27,28)/t20-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes				J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50154039 (2-Amino-1-[3-(5-bromo-4-phenyl-1H-imidazol-2-yl)-3...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c(Br)[nH]1)-c1ccccc1 Show InChI InChI=1S/C27H25BrN4O2/c28-25-24(18-6-2-1-3-7-18)30-26(31-25)23-15-19-8-4-5-9-20(19)16-32(23)27(34)22(29)14-17-10-12-21(33)13-11-17/h1-13,22-23,33H,14-16,29H2,(H,30,31)/t22-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes				J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50154037 (2-Amino-3-(4-hydroxy-phenyl)-1-[2-(5-methyl-4-phen...) Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C23H26N4O2/c1-15-21(17-6-3-2-4-7-17)26-22(25-15)20-8-5-13-27(20)23(29)19(24)14-16-9-11-18(28)12-10-16/h2-4,6-7,9-12,19-20,28H,5,8,13-14,24H2,1H3,(H,25,26)/t19-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes				J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50154041 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-2-(5-methyl...) Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C24H28N4O2/c1-16-22(18-7-3-2-4-8-18)27-23(26-16)21-9-5-6-14-28(21)24(30)20(25)15-17-10-12-19(29)13-11-17/h2-4,7-8,10-13,20-21,29H,5-6,9,14-15,25H2,1H3,(H,26,27)/t20-,21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	153	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes				J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes				J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50154042 (2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccccc1 Show InChI InChI=1S/C27H29N3O3/c28-24(16-20-10-12-23(31)13-11-20)27(33)30-18-22-9-5-4-8-21(22)17-25(30)26(32)29-15-14-19-6-2-1-3-7-19/h1-13,24-25,31H,14-18,28H2,(H,29,32)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes				J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50154035 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(5-methyl...) Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C28H28N4O2/c1-18-26(20-7-3-2-4-8-20)31-27(30-18)25-16-21-9-5-6-10-22(21)17-32(25)28(34)24(29)15-19-11-13-23(33)14-12-19/h2-14,24-25,33H,15-17,29H2,1H3,(H,30,31)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes				J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF
					More data for this Ligand-Target Pair