Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50042831   

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))	BDBM50431837 (CHEMBL2347238) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(nc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3| Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-28(26)32(22,2)15-17-35(30)21-24-8-9-24)31(36)33-16-14-23-10-13-29(34-20-23)25-6-4-3-5-7-25/h3-7,10-13,18,20,22,24,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/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	4.5	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid...				Bioorg Med Chem Lett 23: 2128-33 (2013) Article DOI: 10.1016/j.bmcl.2013.01.117 BindingDB Entry DOI: 10.7270/Q2765GQZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50431838 (CHEMBL2347237) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3| Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/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	1.70	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid...				Bioorg Med Chem Lett 23: 2128-33 (2013) Article DOI: 10.1016/j.bmcl.2013.01.117 BindingDB Entry DOI: 10.7270/Q2765GQZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50431841 (CHEMBL2347239) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cn1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3| Show InChI InChI=1S/C32H37N3O/c1-22-30-19-25-10-11-26(18-29(25)32(22,2)15-17-35(30)21-23-8-9-23)31(36)33-16-14-28-13-12-27(20-34-28)24-6-4-3-5-7-24/h3-7,10-13,18,20,22-23,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/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	19	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid...				Bioorg Med Chem Lett 23: 2128-33 (2013) Article DOI: 10.1016/j.bmcl.2013.01.117 BindingDB Entry DOI: 10.7270/Q2765GQZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50431840 (CHEMBL2347235) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccncc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3| Show InChI InChI=1S/C32H37N3O/c1-22-30-20-27-9-10-28(19-29(27)32(22,2)14-18-35(30)21-24-3-4-24)31(36)34-17-11-23-5-7-25(8-6-23)26-12-15-33-16-13-26/h5-10,12-13,15-16,19,22,24,30H,3-4,11,14,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/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	2.20	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid...				Bioorg Med Chem Lett 23: 2128-33 (2013) Article DOI: 10.1016/j.bmcl.2013.01.117 BindingDB Entry DOI: 10.7270/Q2765GQZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50431839 (CHEMBL2347236) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3| Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-29(26)32(22,2)14-17-35(30)21-24-5-6-24)31(36)34-16-13-23-7-9-25(10-8-23)28-4-3-15-33-20-28/h3-4,7-12,15,18,20,22,24,30H,5-6,13-14,16-17,19,21H2,1-2H3,(H,34,36)/t22-,30?,32-/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	0.850	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid...				Bioorg Med Chem Lett 23: 2128-33 (2013) Article DOI: 10.1016/j.bmcl.2013.01.117 BindingDB Entry DOI: 10.7270/Q2765GQZ
					More data for this Ligand-Target Pair