Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50176702'   

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))	BDBM50176702 ((S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O Show InChI InChI=1S/C46H54N10O10S2/c47-33(19-29-11-15-31(57)16-12-29)41(61)53-37-25-67-68-26-38(54-42(62)34(48)20-30-13-17-32(58)18-14-30)44(64)50-24-40(60)52-36(22-28-9-5-2-6-10-28)46(66)56-55-45(65)35(21-27-7-3-1-4-8-27)51-39(59)23-49-43(37)63/h1-18,33-38,57-58H,19-26,47-48H2,(H,49,63)(H,50,64)(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,55,65)(H,56,66)/t33-,34-,35-,36-,37+,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method				ACS Med Chem Lett 8: 858-863 (2017) Article DOI: 10.1021/acsmedchemlett.7b00210 BindingDB Entry DOI: 10.7270/Q2S1853J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50176702 ((S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O Show InChI InChI=1S/C46H54N10O10S2/c47-33(19-29-11-15-31(57)16-12-29)41(61)53-37-25-67-68-26-38(54-42(62)34(48)20-30-13-17-32(58)18-14-30)44(64)50-24-40(60)52-36(22-28-9-5-2-6-10-28)46(66)56-55-45(65)35(21-27-7-3-1-4-8-27)51-39(59)23-49-43(37)63/h1-18,33-38,57-58H,19-26,47-48H2,(H,49,63)(H,50,64)(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,55,65)(H,56,66)/t33-,34-,35-,36-,37+,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonistic efficacy at rat mu opioid receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 16: 367-72 (2005) Article DOI: 10.1016/j.bmcl.2005.09.080 BindingDB Entry DOI: 10.7270/Q24X57BF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176702 ((S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O Show InChI InChI=1S/C46H54N10O10S2/c47-33(19-29-11-15-31(57)16-12-29)41(61)53-37-25-67-68-26-38(54-42(62)34(48)20-30-13-17-32(58)18-14-30)44(64)50-24-40(60)52-36(22-28-9-5-2-6-10-28)46(66)56-55-45(65)35(21-27-7-3-1-4-8-27)51-39(59)23-49-43(37)63/h1-18,33-38,57-58H,19-26,47-48H2,(H,49,63)(H,50,64)(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,55,65)(H,56,66)/t33-,34-,35-,36-,37+,38+/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor				Bioorg Med Chem Lett 16: 367-72 (2005) Article DOI: 10.1016/j.bmcl.2005.09.080 BindingDB Entry DOI: 10.7270/Q24X57BF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50176702 ((S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O Show InChI InChI=1S/C46H54N10O10S2/c47-33(19-29-11-15-31(57)16-12-29)41(61)53-37-25-67-68-26-38(54-42(62)34(48)20-30-13-17-32(58)18-14-30)44(64)50-24-40(60)52-36(22-28-9-5-2-6-10-28)46(66)56-55-45(65)35(21-27-7-3-1-4-8-27)51-39(59)23-49-43(37)63/h1-18,33-38,57-58H,19-26,47-48H2,(H,49,63)(H,50,64)(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,55,65)(H,56,66)/t33-,34-,35-,36-,37+,38+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Activity at mu opioid receptor in longitudinal muscle myenteric plexus from guinea pig ileum				Bioorg Med Chem Lett 16: 367-72 (2005) Article DOI: 10.1016/j.bmcl.2005.09.080 BindingDB Entry DOI: 10.7270/Q24X57BF
					More data for this Ligand-Target Pair