BindingDB logo
myBDB logout

Patent code US9663463

Compile Data Set for Download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327428
PNG
( N-(3-{(1R,5S,6r)-3-[3-(4,4-difluoro-1-methoxycycl...)
Show SMILES CCC1([C@H]2CN(CCCC3(CCC(F)(F)CC3)OC)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C26H38F2N2O3S/c1-3-26(19-6-4-7-20(16-19)29-34(31,32)21-8-9-21)22-17-30(18-23(22)26)15-5-10-24(33-2)11-13-25(27,28)14-12-24/h4,6-7,16,21-23,29H,3,5,8-15,17-18H2,1-2H3/t22-,23+,26?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327443
PNG
(N-{3-[(1R,5S)-6-ethyl-3-azabicyclo[3.1.0]hexan-6-y...)
Show SMILES CCC1([C@H]2CNC[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C16H22N2O2S/c1-2-16(14-9-17-10-15(14)16)11-4-3-5-12(8-11)18-21(19,20)13-6-7-13/h3-5,8,13-15,17-18H,2,6-7,9-10H2,1H3/t14-,15+,16?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327436
PNG
(N-(3-{(1R,5S,6r)-3-[3-(1-ethoxy-4,4-difluorocycloh...)
Show SMILES CCOC1(CCCN2C[C@H]3[C@@H](C2)C3(CC)c2cccc(NS(=O)(=O)C3CC3)c2)CCC(F)(F)CC1
Show InChI InChI=1S/C27H40F2N2O3S/c1-3-27(20-7-5-8-21(17-20)30-35(32,33)22-9-10-22)23-18-31(19-24(23)27)16-6-11-25(34-4-2)12-14-26(28,29)15-13-25/h5,7-8,17,22-24,30H,3-4,6,9-16,18-19H2,1-2H3/t23-,24+,27?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327429
PNG
(N-(3-{(1R,5S,6r)-3-[3-(4,4-difluoropiperidin-1-yl)...)
Show SMILES CCC1([C@H]2CN(CCCN3CCC(F)(F)CC3)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C24H35F2N3O2S/c1-2-24(18-5-3-6-19(15-18)27-32(30,31)20-7-8-20)21-16-29(17-22(21)24)12-4-11-28-13-9-23(25,26)10-14-28/h3,5-6,15,20-22,27H,2,4,7-14,16-17H2,1H3/t21-,22+,24?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327423
PNG
( N-(3-{(1R,5S,6r)-6-ethyl-3-[(2-hydroxy-2,3-dihydr...)
Show SMILES CCC1([C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C26H32N2O3S/c1-2-26(20-8-5-9-21(12-20)27-32(30,31)22-10-11-22)23-15-28(16-24(23)26)17-25(29)13-18-6-3-4-7-19(18)14-25/h3-9,12,22-24,27,29H,2,10-11,13-17H2,1H3/t23-,24+,26?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327426
PNG
(N-(3-{(1R,5S,6r)-3-[3-(4,4-difluorocyclohexyl)prop...)
Show SMILES CCC1([C@H]2CN(CCCC3CCC(F)(F)CC3)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C25H36F2N2O2S/c1-2-25(19-6-3-7-20(15-19)28-32(30,31)21-8-9-21)22-16-29(17-23(22)25)14-4-5-18-10-12-24(26,27)13-11-18/h3,6-7,15,18,21-23,28H,2,4-5,8-14,16-17H2,1H3/t22-,23+,25?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327427
PNG
(N-(3-{(1R,5S,6r)-3-[3-(4,4-difluorocyclohexyl)prop...)
Show SMILES CCC1([C@H]2CN(CCCC3CCC(F)(F)CC3)C[C@@H]12)c1cc(NS(=O)(=O)C2CC2)ccc1F
Show InChI InChI=1S/C25H35F3N2O2S/c1-2-25(20-14-18(5-8-23(20)26)29-33(31,32)19-6-7-19)21-15-30(16-22(21)25)13-3-4-17-9-11-24(27,28)12-10-17/h5,8,14,17,19,21-22,29H,2-4,6-7,9-13,15-16H2,1H3/t21-,22+,25?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327437
PNG
(N-(3-{(1R,5S,6r)-3-[3-(4,4-difluoropiperidin-1-yl)...)
Show SMILES CCC1([C@H]2CN(CCCN3CCC(F)(F)CC3)C[C@@H]12)c1cc(NS(=O)(=O)C2CC2)ccc1F
Show InChI InChI=1S/C24H34F3N3O2S/c1-2-24(19-14-17(4-7-22(19)25)28-33(31,32)18-5-6-18)20-15-30(16-21(20)24)11-3-10-29-12-8-23(26,27)9-13-29/h4,7,14,18,20-21,28H,2-3,5-6,8-13,15-16H2,1H3/t20-,21+,24?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327424
PNG
(N-(3-{(1R,5S,6r)-6-ethyl-3-[(2-hydroxy-2,3-dihydro...)
Show SMILES CCC1([C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@@H]12)c1cc(NS(=O)(=O)C2CC2)ccc1F
Show InChI InChI=1S/C26H31FN2O3S/c1-2-26(21-11-19(7-10-24(21)27)28-33(31,32)20-8-9-20)22-14-29(15-23(22)26)16-25(30)12-17-5-3-4-6-18(17)13-25/h3-7,10-11,20,22-23,28,30H,2,8-9,12-16H2,1H3/t22-,23+,26?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327431
PNG
(N-(3-{(1R,5S,6r)-3-[3-(3,3-difluoropyrrolidin-1-yl...)
Show SMILES CCC1([C@H]2CN(CCCN3CCC(F)(F)C3)C[C@@H]12)c1cc(NS(=O)(=O)C2CC2)ccc1F
Show InChI InChI=1S/C23H32F3N3O2S/c1-2-23(18-12-16(4-7-21(18)24)27-32(30,31)17-5-6-17)19-13-29(14-20(19)23)10-3-9-28-11-8-22(25,26)15-28/h4,7,12,17,19-20,27H,2-3,5-6,8-11,13-15H2,1H3/t19-,20+,23?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.5n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327433
PNG
(N-(3-{(1R,5S,6r)-6-ethyl-3-[(2-methoxy-2,3-dihydro...)
Show SMILES CCC1([C@H]2CN(CC3(Cc4ccccc4C3)OC)C[C@@H]12)c1cc(NS(=O)(=O)C2CC2)ccc1F
Show InChI InChI=1S/C27H33FN2O3S/c1-3-27(22-12-20(8-11-25(22)28)29-34(31,32)21-9-10-21)23-15-30(16-24(23)27)17-26(33-2)13-18-6-4-5-7-19(18)14-26/h4-8,11-12,21,23-24,29H,3,9-10,13-17H2,1-2H3/t23-,24+,27?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.80n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327430
PNG
(N-(3-{(1R,5S,6r)-3-[3-(3,3-difluoropyrrolidin-1-yl...)
Show SMILES CCC1([C@H]2CN(CCCN3CCC(F)(F)C3)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C23H33F2N3O2S/c1-2-23(17-5-3-6-18(13-17)26-31(29,30)19-7-8-19)20-14-28(15-21(20)23)11-4-10-27-12-9-22(24,25)16-27/h3,5-6,13,19-21,26H,2,4,7-12,14-16H2,1H3/t20-,21+,23?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327438
PNG
(N-(3-{(1R,5S,6r)-3-[3-(3,3-difluoropiperidin-1-yl)...)
Show SMILES CCC1([C@H]2CN(CCCN3CCCC(F)(F)C3)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C24H35F2N3O2S/c1-2-24(18-6-3-7-19(14-18)27-32(30,31)20-8-9-20)21-15-29(16-22(21)24)13-5-12-28-11-4-10-23(25,26)17-28/h3,6-7,14,20-22,27H,2,4-5,8-13,15-17H2,1H3/t21-,22+,24?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327432
PNG
(N-(3-{(1R,5S,6r)-6-ethyl-3-[(2-hydroxy-2,3-dihydro...)
Show SMILES CCC1([C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@@H]12)c1cc(F)cc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C26H31FN2O3S/c1-2-26(19-9-20(27)11-21(10-19)28-33(31,32)22-7-8-22)23-14-29(15-24(23)26)16-25(30)12-17-5-3-4-6-18(17)13-25/h3-6,9-11,22-24,28,30H,2,7-8,12-16H2,1H3/t23-,24+,26?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.20n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327425
PNG
(N-(3-{(1R,5S,6r)-6-ethyl-3-[(2-methoxy-2,3-dihydro...)
Show SMILES CCC1([C@H]2CN(CC3(Cc4ccccc4C3)OC)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C27H34N2O3S/c1-3-27(21-9-6-10-22(13-21)28-33(30,31)23-11-12-23)24-16-29(17-25(24)27)18-26(32-2)14-19-7-4-5-8-20(19)15-26/h4-10,13,23-25,28H,3,11-12,14-18H2,1-2H3/t24-,25+,27?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327442
PNG
(N-(3-{(1R,5S,6r)-3-[(5,6-difluoro-2-hydroxy-2,3-di...)
Show SMILES CCC1([C@H]2CN(CC3(O)Cc4cc(F)c(F)cc4C3)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C26H30F2N2O3S/c1-2-26(18-4-3-5-19(10-18)29-34(32,33)20-6-7-20)21-13-30(14-22(21)26)15-25(31)11-16-8-23(27)24(28)9-17(16)12-25/h3-5,8-10,20-22,29,31H,2,6-7,11-15H2,1H3/t21-,22+,26?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.10n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327435
PNG
(N-(3-{(1R,5S,6r)-3-[(2-ethoxy-2,3-dihydro-1H-inden...)
Show SMILES CCOC1(CN2C[C@H]3[C@@H](C2)C3(CC)c2cccc(NS(=O)(=O)C3CC3)c2)Cc2ccccc2C1
Show InChI InChI=1S/C28H36N2O3S/c1-3-28(22-10-7-11-23(14-22)29-34(31,32)24-12-13-24)25-17-30(18-26(25)28)19-27(33-4-2)15-20-8-5-6-9-21(20)16-27/h5-11,14,24-26,29H,3-4,12-13,15-19H2,1-2H3/t25-,26+,28?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.10n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327441
PNG
(N-(3-{(1R,5S,6r)-3-[(2-hydroxy-2,3-dihydro-1H-inde...)
Show SMILES OC1(CN2C[C@H]3[C@@H](C2)C3(C=C)c2cccc(NS(=O)(=O)C3CC3)c2)Cc2ccccc2C1
Show InChI InChI=1S/C26H30N2O3S/c1-2-26(20-8-5-9-21(12-20)27-32(30,31)22-10-11-22)23-15-28(16-24(23)26)17-25(29)13-18-6-3-4-7-19(18)14-25/h2-9,12,22-24,27,29H,1,10-11,13-17H2/t23-,24+,26?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.5n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327439
PNG
(N-(3-{(1R,5S,6r)-3-[(2-hydroxy-2,3-dihydro-1H-inde...)
Show SMILES CC1([C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C25H30N2O3S/c1-24(19-7-4-8-20(11-19)26-31(29,30)21-9-10-21)22-14-27(15-23(22)24)16-25(28)12-17-5-2-3-6-18(17)13-25/h2-8,11,21-23,26,28H,9-10,12-16H2,1H3/t22-,23+,24?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.40n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327434
PNG
(N-(3-{(1R,5S,6r)-6-ethyl-3-[(2-methoxy-2,3-dihydro...)
Show SMILES CCC1([C@H]2CN(CC3(Cc4ccccc4C3)OC)C[C@@H]12)c1cc(F)cc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C27H33FN2O3S/c1-3-27(20-10-21(28)12-22(11-20)29-34(31,32)23-8-9-23)24-15-30(16-25(24)27)17-26(33-2)13-18-6-4-5-7-19(18)14-26/h4-7,10-12,23-25,29H,3,8-9,13-17H2,1-2H3/t24-,25+,27?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM327440
PNG
(N-(3-{(1R,5S,6r)-3-[(2-methoxy-2,3-dihydro-1H-inde...)
Show SMILES COC1(CN2C[C@H]3[C@@H](C2)C3(C)c2cccc(NS(=O)(=O)C3CC3)c2)Cc2ccccc2C1
Show InChI InChI=1S/C26H32N2O3S/c1-25(20-8-5-9-21(12-20)27-32(29,30)22-10-11-22)23-15-28(16-24(23)25)17-26(31-2)13-18-6-3-4-7-19(18)14-26/h3-9,12,22-24,27H,10-11,13-17H2,1-2H3/t23-,24+,25?
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%