Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50087459'   

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))	BDBM50087459 (17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...) Show SMILES CC(=O)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:44:11:14:3.5.4,9:10:14:3.5.4,THB:29:43:20:38.36.37,25:24:20:38.36.37| Show InChI InChI=1S/C38H39N3O7/c1-17(42)41-11-9-36-28-20-5-7-24(44)32(28)48-34(36)30-22(15-38(36,46)26(41)13-20)21-14-37(45)25-12-19-4-6-23(43)31-27(19)35(37,33(47-31)29(21)39-30)8-10-40(25)16-18-2-3-18/h4-7,18,25-26,33-34,39,43-46H,2-3,8-16H2,1H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity using [3H]diprenorphine as the radioligand against K303E Opioid receptor mu 1 in COS-7 cells				J Med Chem 43: 1573-6 (2000) BindingDB Entry DOI: 10.7270/Q2FF3T23
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50087459 (17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...) Show SMILES CC(=O)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:44:11:14:3.5.4,9:10:14:3.5.4,THB:29:43:20:38.36.37,25:24:20:38.36.37| Show InChI InChI=1S/C38H39N3O7/c1-17(42)41-11-9-36-28-20-5-7-24(44)32(28)48-34(36)30-22(15-38(36,46)26(41)13-20)21-14-37(45)25-12-19-4-6-23(43)31-27(19)35(37,33(47-31)29(21)39-30)8-10-40(25)16-18-2-3-18/h4-7,18,25-26,33-34,39,43-46H,2-3,8-16H2,1H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor mu 1 in COS-7 cells				J Med Chem 43: 1573-6 (2000) BindingDB Entry DOI: 10.7270/Q2FF3T23
					More data for this Ligand-Target Pair