Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50111904'   

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))	BDBM50111904 ((S)-4-[(R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C40H58N8O10/c1-20(2)33(39(57)43-19-31(42)50)48-40(58)34(21(3)4)47-37(55)29(15-16-32(51)52)45-38(56)30(18-27-22(5)9-8-10-23(27)6)46-35(53)24(7)44-36(54)28(41)17-25-11-13-26(49)14-12-25/h8-14,20-21,24,28-30,33-34,49H,15-19,41H2,1-7H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t24-,28+,29+,30-,33+,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity of the compound against Opioid receptor mu 1 using [3H]-DAMGO in rat brain synaptosomes was determined				Bioorg Med Chem Lett 12: 879-81 (2002) BindingDB Entry DOI: 10.7270/Q2X34WSM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50111904 ((S)-4-[(R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C40H58N8O10/c1-20(2)33(39(57)43-19-31(42)50)48-40(58)34(21(3)4)47-37(55)29(15-16-32(51)52)45-38(56)30(18-27-22(5)9-8-10-23(27)6)46-35(53)24(7)44-36(54)28(41)17-25-11-13-26(49)14-12-25/h8-14,20-21,24,28-30,33-34,49H,15-19,41H2,1-7H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t24-,28+,29+,30-,33+,34+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description In vitro biological activity by electrically induced smooth muscle contractions in guinea pig ileum (Opioid receptor mu 1); inhibitory concentration ...				Bioorg Med Chem Lett 12: 879-81 (2002) BindingDB Entry DOI: 10.7270/Q2X34WSM
					More data for this Ligand-Target Pair