Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM309436'   

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))	BDBM309436 (US10287250, Compound C.7 | US9656961, Example 0015...) Show SMILES CC1[C@H]2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(O)nc1 |r,TLB:15:14:9.4.3:1| Show InChI InChI=1S/C32H37N3O2/c1-21-29-18-25-9-10-26(17-28(25)32(21,2)14-16-35(29)20-23-3-4-23)31(37)33-15-13-22-5-7-24(8-6-22)27-11-12-30(36)34-19-27/h5-12,17,19,21,23,29H,3-4,13-16,18,20H2,1-2H3,(H,33,37)(H,34,36)/t21?,29-,32+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.680	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 opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				US Patent US9656961 (2017) BindingDB Entry DOI: 10.7270/Q2PR7Z13
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM309436 (US10287250, Compound C.7 | US9656961, Example 0015...) Show SMILES CC1[C@H]2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(O)nc1 |r,TLB:15:14:9.4.3:1| Show InChI InChI=1S/C32H37N3O2/c1-21-29-18-25-9-10-26(17-28(25)32(21,2)14-16-35(29)20-23-3-4-23)31(37)33-15-13-22-5-7-24(8-6-22)27-11-12-30(36)34-19-27/h5-12,17,19,21,23,29H,3-4,13-16,18,20H2,1-2H3,(H,33,37)(H,34,36)/t21?,29-,32+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q2125W08
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM309436 (US10287250, Compound C.7 | US9656961, Example 0015...) Show SMILES CC1[C@H]2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(O)nc1 |r,TLB:15:14:9.4.3:1| Show InChI InChI=1S/C32H37N3O2/c1-21-29-18-25-9-10-26(17-28(25)32(21,2)14-16-35(29)20-23-3-4-23)31(37)33-15-13-22-5-7-24(8-6-22)27-11-12-30(36)34-19-27/h5-12,17,19,21,23,29H,3-4,13-16,18,20H2,1-2H3,(H,33,37)(H,34,36)/t21?,29-,32+/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	47	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q2125W08
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM309436 (US10287250, Compound C.7 | US9656961, Example 0015...) Show SMILES CC1[C@H]2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(O)nc1 |r,TLB:15:14:9.4.3:1| Show InChI InChI=1S/C32H37N3O2/c1-21-29-18-25-9-10-26(17-28(25)32(21,2)14-16-35(29)20-23-3-4-23)31(37)33-15-13-22-5-7-24(8-6-22)27-11-12-30(36)34-19-27/h5-12,17,19,21,23,29H,3-4,13-16,18,20H2,1-2H3,(H,33,37)(H,34,36)/t21?,29-,32+/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	47	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 opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				US Patent US9656961 (2017) BindingDB Entry DOI: 10.7270/Q2PR7Z13
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM309436 (US10287250, Compound C.7 | US9656961, Example 0015...) Show SMILES CC1[C@H]2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(O)nc1 |r,TLB:15:14:9.4.3:1| Show InChI InChI=1S/C32H37N3O2/c1-21-29-18-25-9-10-26(17-28(25)32(21,2)14-16-35(29)20-23-3-4-23)31(37)33-15-13-22-5-7-24(8-6-22)27-11-12-30(36)34-19-27/h5-12,17,19,21,23,29H,3-4,13-16,18,20H2,1-2H3,(H,33,37)(H,34,36)/t21?,29-,32+/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	n/a	n/a	22	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The EC50 and Imax for μ opioid receptors was determined using a [35S]GTPγS binding assay. This assay measures the functional properties of ...				Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q2125W08
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM309436 (US10287250, Compound C.7 | US9656961, Example 0015...) Show SMILES CC1[C@H]2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(O)nc1 |r,TLB:15:14:9.4.3:1| Show InChI InChI=1S/C32H37N3O2/c1-21-29-18-25-9-10-26(17-28(25)32(21,2)14-16-35(29)20-23-3-4-23)31(37)33-15-13-22-5-7-24(8-6-22)27-11-12-30(36)34-19-27/h5-12,17,19,21,23,29H,3-4,13-16,18,20H2,1-2H3,(H,33,37)(H,34,36)/t21?,29-,32+/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	n/a	n/a	22	n/a	n/a	n/a	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				US Patent US9656961 (2017) BindingDB Entry DOI: 10.7270/Q2PR7Z13
					More data for this Ligand-Target Pair