Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM309412'   

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))	BDBM309412 (US10231963, Table B.15 | US11534436, Compound Tabl...) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3| 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 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))	BDBM309412 (US10231963, Table B.15 | US11534436, Compound Tabl...) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3| 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
Universita degli Studi di Bari					Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2W66P26
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM309412 (US10231963, Table B.15 | US11534436, Compound Tabl...) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3| 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
TBA					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CJ8JBP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM309412 (US10231963, Table B.15 | US11534436, Compound Tabl...) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3| 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
TBA					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CJ8JBP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM309412 (US10231963, Table B.15 | US11534436, Compound Tabl...) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3| 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
Universita degli Studi di Bari					Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2W66P26
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM309412 (US10231963, Table B.15 | US11534436, Compound Tabl...) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3| 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 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))	BDBM309412 (US10231963, Table B.15 | US11534436, Compound Tabl...) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3| 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	n/a	n/a	1.80	n/a	n/a	n/a	n/a
Universita degli Studi di Bari					Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2W66P26
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM309412 (US10231963, Table B.15 | US11534436, Compound Tabl...) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3| 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	n/a	n/a	1.80	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