Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50212297'   

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))	BDBM50212297 ((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...) Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23| Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/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	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212297 ((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...) Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23| Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/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	26	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212297 ((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...) Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23| Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/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	2.60	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO membrane assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair