Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50494300'   

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))	BDBM50494300 (CHEMBL3086305) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:14:13:29:9.3.2| Show InChI InChI=1S/C23H27N3O2S/c1-13(27)24-22-25-19-11-23-6-7-26(12-14-2-3-14)20(18(23)10-21(19)29-22)8-15-4-5-16(28)9-17(15)23/h4-5,9,14,18,20,28H,2-3,6-8,10-12H2,1H3,(H,24,25,27)/t18-,20+,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494300 (CHEMBL3086305) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:14:13:29:9.3.2| Show InChI InChI=1S/C23H27N3O2S/c1-13(27)24-22-25-19-11-23-6-7-26(12-14-2-3-14)20(18(23)10-21(19)29-22)8-15-4-5-16(28)9-17(15)23/h4-5,9,14,18,20,28H,2-3,6-8,10-12H2,1H3,(H,24,25,27)/t18-,20+,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor transfected in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins...				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494300 (CHEMBL3086305) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:14:13:29:9.3.2| Show InChI InChI=1S/C23H27N3O2S/c1-13(27)24-22-25-19-11-23-6-7-26(12-14-2-3-14)20(18(23)10-21(19)29-22)8-15-4-5-16(28)9-17(15)23/h4-5,9,14,18,20,28H,2-3,6-8,10-12H2,1H3,(H,24,25,27)/t18-,20+,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor transfected in CHO cells assessed as inhibition of U50488-induced [35S]GTPgammaS binding after 60 min...				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494300 (CHEMBL3086305) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:14:13:29:9.3.2| Show InChI InChI=1S/C23H27N3O2S/c1-13(27)24-22-25-19-11-23-6-7-26(12-14-2-3-14)20(18(23)10-21(19)29-22)8-15-4-5-16(28)9-17(15)23/h4-5,9,14,18,20,28H,2-3,6-8,10-12H2,1H3,(H,24,25,27)/t18-,20+,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.520	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair