Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50037654   

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 (Homo sapiens (Human))	BDBM50105483 ((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...) Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:8:7:20.4.5:15.13.14| Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50180183 (1-((-)-N-cyclopropylmethylmorphinan-3-yl) 10-(N-cy...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C51H70N2O4/c54-48(56-40-22-20-38-30-46-42-14-7-9-24-50(42,44(38)32-40)26-28-52(46)34-36-12-11-13-36)16-5-3-1-2-4-6-17-49(55)57-41-23-21-39-31-47-43-15-8-10-25-51(43,45(39)33-41)27-29-53(47)35-37-18-19-37/h20-23,32-33,36-37,42-43,46-47H,1-19,24-31,34-35H2/t42?,43?,46-,47-,50-,51-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50180189 (1-((-)-N-cyclobutylmethylmorphinan-3-yl) 10-((-)-N...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C52H73N3O3/c56-49(53-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-54(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(57)58-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-55(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2,(H,53,56)/t43?,44?,47-,48-,51-,52-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50180185 (10-{[(1R,9R)-17-(cyclobutylmethyl)-17-azatetracycl...) Show SMILES OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C31H45NO4/c33-29(34)13-5-3-1-2-4-6-14-30(35)36-25-16-15-24-20-28-26-12-7-8-17-31(26,27(24)21-25)18-19-32(28)22-23-10-9-11-23/h15-16,21,23,26,28H,1-14,17-20,22H2,(H,33,34)/t26?,28-,31-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50180182 (CHEMBL369919 | bis-((-)-N-[(S)-tetrahydrofurfuryl]...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 Show InChI InChI=1S/C52H72N2O6/c55-49(59-39-21-19-37-31-47-43-15-7-9-23-51(43,45(37)33-39)25-27-53(47)35-41-13-11-29-57-41)17-5-3-1-2-4-6-18-50(56)60-40-22-20-38-32-48-44-16-8-10-24-52(44,46(38)34-40)26-28-54(48)36-42-14-12-30-58-42/h19-22,33-34,41-44,47-48H,1-18,23-32,35-36H2/t41-,42-,43?,44?,47+,48+,51+,52+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50180180 (CHEMBL381750 | bis-((-)-N-cyclobutylmethylmorphina...) Show SMILES O=C(Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C=C\C(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C48H60N2O4/c51-45(53-37-19-17-35-27-43-39-13-3-5-21-47(39,41(35)29-37)23-25-49(43)31-33-9-7-10-33)15-1-2-16-46(52)54-38-20-18-36-28-44-40-14-4-6-22-48(40,42(36)30-38)24-26-50(44)32-34-11-8-12-34/h1-2,15-20,29-30,33-34,39-40,43-44H,3-14,21-28,31-32H2/b15-1+,16-2+/t39?,40?,43-,44-,47-,48-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50180192 (1-((-)-N-cyclobutylmethylmorphinan-3-yl) 10-(3,6-d...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |c:16| Show InChI InChI=1S/C48H62N2O6/c1-49-25-24-48-36-19-20-40(51)46(48)56-45-41(21-17-33(44(45)48)28-38(36)49)55-43(53)15-7-5-3-2-4-6-14-42(52)54-34-18-16-32-27-39-35-13-8-9-22-47(35,37(32)29-34)23-26-50(39)30-31-11-10-12-31/h16-21,29,31,35-36,38-40,46,51H,2-15,22-28,30H2,1H3/t35?,36-,38+,39+,40-,46-,47+,48-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50180187 (1-phenyl 10-((-)-N-cyclobutylmethylmorphinan-3-yl)...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccccc1 |TLB:28:27:33.16.17:19| Show InChI InChI=1S/C37H49NO4/c39-35(41-30-15-6-5-7-16-30)18-8-3-1-2-4-9-19-36(40)42-31-21-20-29-25-34-32-17-10-11-22-37(32,33(29)26-31)23-24-38(34)27-28-13-12-14-28/h5-7,15-16,20-21,26,28,32,34H,1-4,8-14,17-19,22-25,27H2/t32?,34-,37-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF
					More data for this Ligand-Target Pair