Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50087456'   

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))	BDBM50087456 (17-Methyl-17'-cyclopropylmethyl-3'-hydroxy-6,6',7,...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:41:9:12:1.3.2,7:8:12:1.3.2,THB:22:21:17:35.33.34,26:40:17:35.33.34| Show InChI InChI=1S/C37H39N3O5/c1-39-10-8-35-22-14-20-21-15-37(43)26-13-19-5-7-25(42)32-28(19)36(37,9-11-40(26)16-17-2-3-17)34(45-32)30(21)38-29(20)33(35)44-31-24(41)6-4-18(27(31)35)12-23(22)39/h4-7,17,22-23,26,33-34,38,41-43H,2-3,8-16H2,1H3/t22-,23?,26?,33-,34-,35-,36-,37+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.160	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))	BDBM50087456 (17-Methyl-17'-cyclopropylmethyl-3'-hydroxy-6,6',7,...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:41:9:12:1.3.2,7:8:12:1.3.2,THB:22:21:17:35.33.34,26:40:17:35.33.34| Show InChI InChI=1S/C37H39N3O5/c1-39-10-8-35-22-14-20-21-15-37(43)26-13-19-5-7-25(42)32-28(19)36(37,9-11-40(26)16-17-2-3-17)34(45-32)30(21)38-29(20)33(35)44-31-24(41)6-4-18(27(31)35)12-23(22)39/h4-7,17,22-23,26,33-34,38,41-43H,2-3,8-16H2,1H3/t22-,23?,26?,33-,34-,35-,36-,37+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	40	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