Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM456905'   

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))	BDBM456905 (US10736890, Compound TABLE B.15) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5OC2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:27.26:3.4| Show InChI InChI=1S/C30H42N2O4/c1-26(2,3)27(4,34)20-15-28-10-11-30(20,35-5)25-29(28)12-13-32(16-17-6-7-17)21(28)14-18-8-9-19(24(31)33)23(36-25)22(18)29/h8-9,17,20-21,25,34H,6-7,10-16H2,1-5H3,(H2,31,33)/t20-,21-,25?,27+,28-,29+,30-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				US Patent US10736890 (2020) BindingDB Entry DOI: 10.7270/Q2F47S5F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM456905 (US10736890, Compound TABLE B.15) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5OC2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:27.26:3.4| Show InChI InChI=1S/C30H42N2O4/c1-26(2,3)27(4,34)20-15-28-10-11-30(20,35-5)25-29(28)12-13-32(16-17-6-7-17)21(28)14-18-8-9-19(24(31)33)23(36-25)22(18)29/h8-9,17,20-21,25,34H,6-7,10-16H2,1-5H3,(H2,31,33)/t20-,21-,25?,27+,28-,29+,30-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				US Patent US10736890 (2020) BindingDB Entry DOI: 10.7270/Q2F47S5F
					More data for this Ligand-Target Pair