Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50312861'   

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 (Rattus norvegicus (rat))	BDBM50312861 ((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S)-2,2',2''-(2,...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCN(CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r| Show InChI InChI=1S/C75H93N13O12/c1-43-25-55(89)26-44(2)58(43)34-61(76)70(95)82-64-31-49-13-7-10-16-52(49)37-86(73(64)98)40-67(92)79-19-22-85(23-20-80-68(93)41-87-38-53-17-11-8-14-50(53)32-65(74(87)99)83-71(96)62(77)35-59-45(3)27-56(90)28-46(59)4)24-21-81-69(94)42-88-39-54-18-12-9-15-51(54)33-66(75(88)100)84-72(97)63(78)36-60-47(5)29-57(91)30-48(60)6/h7-18,25-30,61-66,89-91H,19-24,31-42,76-78H2,1-6H3,(H,79,92)(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,97)/t61-,62-,63-,64-,65-,66-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes				Bioorg Med Chem Lett 20: 1610-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.055 BindingDB Entry DOI: 10.7270/Q2H995BB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50312861 ((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S)-2,2',2''-(2,...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCN(CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r| Show InChI InChI=1S/C75H93N13O12/c1-43-25-55(89)26-44(2)58(43)34-61(76)70(95)82-64-31-49-13-7-10-16-52(49)37-86(73(64)98)40-67(92)79-19-22-85(23-20-80-68(93)41-87-38-53-17-11-8-14-50(53)32-65(74(87)99)83-71(96)62(77)35-59-45(3)27-56(90)28-46(59)4)24-21-81-69(94)42-88-39-54-18-12-9-15-51(54)33-66(75(88)100)84-72(97)63(78)36-60-47(5)29-57(91)30-48(60)6/h7-18,25-30,61-66,89-91H,19-24,31-42,76-78H2,1-6H3,(H,79,92)(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,97)/t61-,62-,63-,64-,65-,66-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Antagonist activity at mu opioid receptor in guinea pig ileum				Bioorg Med Chem Lett 20: 1610-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.055 BindingDB Entry DOI: 10.7270/Q2H995BB
					More data for this Ligand-Target Pair