BindingDB logo
myBDB logout

Patent code US9815790

Compile Data Set for Download or QSAR
Found 48 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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354732
PNG
(US9815790, 1)
Show SMILES COCCOCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C37H42Cl2F3N3O7S/c1-48-16-17-49-18-19-50-20-21-51-22-23-52-35-25-34(43-31-12-14-45(15-13-31)53(46,47)37(40,41)42)32-24-28(6-11-33(32)44-35)36(26-2-7-29(38)8-3-26)27-4-9-30(39)10-5-27/h2-11,24-25,31,36H,12-23H2,1H3,(H,43,44)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.40E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354909
PNG
(US9815790, 24)
Show SMILES COCCOCCOCCOCCn1c2ccc(cc2cc(N2CCN(CC2)c2ccccc2)c1=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C41H45Cl2N3O5/c1-48-23-24-50-27-28-51-26-25-49-22-21-46-38-16-11-33(40(31-7-12-35(42)13-8-31)32-9-14-36(43)15-10-32)29-34(38)30-39(41(46)47)45-19-17-44(18-20-45)37-5-3-2-4-6-37/h2-16,29-30,40H,17-28H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 350n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354892
PNG
(US9815790, 7)
Show SMILES NNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C55H77Cl2F3N6O14S/c56-45-10-5-42(6-11-45)54(43-7-12-46(57)13-8-43)44-9-14-49-48(40-44)50(63-47-15-19-66(20-16-47)81(69,70)55(58,59)60)41-53(64-49)80-21-3-1-2-4-51(67)62-18-23-72-25-27-74-29-31-76-33-35-78-37-39-79-38-36-77-34-32-75-30-28-73-26-24-71-22-17-52(68)65-61/h5-14,40-41,47,54H,1-4,15-39,61H2,(H,62,67)(H,63,64)(H,65,68)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 33n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354904
PNG
(US9815790, 19)
Show SMILES CCCOCCCNC(=O)CCCCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C40H47Cl2F3N4O5S/c1-2-23-53-24-6-20-46-37(50)7-4-3-5-25-54-38-27-36(47-33-18-21-49(22-19-33)55(51,52)40(43,44)45)34-26-30(12-17-35(34)48-38)39(28-8-13-31(41)14-9-28)29-10-15-32(42)16-11-29/h8-17,26-27,33,39H,2-7,18-25H2,1H3,(H,46,50)(H,47,48)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 240n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354905
PNG
(US9815790, 20)
Show SMILES COCCOCCOc1ccc(Nc2cc(=O)[nH]c3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C33H30Cl2N2O4/c1-39-16-17-40-18-19-41-28-13-11-27(12-14-28)36-31-21-32(38)37-30-15-6-24(20-29(30)31)33(22-2-7-25(34)8-3-22)23-4-9-26(35)10-5-23/h2-15,20-21,33H,16-19H2,1H3,(H2,36,37,38)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 47n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354906
PNG
(US9815790, 21)
Show SMILES COCCOCCOCCOCCn1c2ccc(cc2c(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)cc1=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C37H42Cl2F3N3O7S/c1-49-18-19-51-22-23-52-21-20-50-17-16-45-34-11-6-28(36(26-2-7-29(38)8-3-26)27-4-9-30(39)10-5-27)24-32(34)33(25-35(45)46)43-31-12-14-44(15-13-31)53(47,48)37(40,41)42/h2-11,24-25,31,36,43H,12-23H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 390n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354741
PNG
(US9815790, 3)
Show SMILES CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C57H81Cl2F3N4O16S/c1-56(2,3)82-55(67)63-16-19-70-20-21-71-22-23-72-24-25-73-26-27-74-28-29-75-30-31-76-32-33-77-34-35-78-36-37-79-38-39-80-40-41-81-53-43-52(64-49-14-17-66(18-15-49)83(68,69)57(60,61)62)50-42-46(8-13-51(50)65-53)54(44-4-9-47(58)10-5-44)45-6-11-48(59)12-7-45/h4-13,42-43,49,54H,14-41H2,1-3H3,(H,63,67)(H,64,65)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.80E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354893
PNG
(US9815790, 8)
Show SMILES OCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H36Cl2F3N3O6S/c35-26-6-1-23(2-7-26)33(24-3-8-27(36)9-4-24)25-5-10-30-29(21-25)31(22-32(41-30)48-20-19-47-18-17-46-16-15-43)40-28-11-13-42(14-12-28)49(44,45)34(37,38)39/h1-10,21-22,28,33,43H,11-20H2,(H,40,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354894
PNG
(US9815790, 9)
Show SMILES OCCOCCOCCOCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C40H48Cl2F3N3O9S/c41-32-6-1-29(2-7-32)39(30-3-8-33(42)9-4-30)31-5-10-36-35(27-31)37(46-34-11-13-48(14-12-34)58(50,51)40(43,44)45)28-38(47-36)57-26-25-56-24-23-55-22-21-54-20-19-53-18-17-52-16-15-49/h1-10,27-28,34,39,49H,11-26H2,(H,46,47)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 150n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354895
PNG
(US9815790, 10 | US9815790, 14)
Show SMILES COCCOCCCNC(=O)CCCCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C40H47Cl2F3N4O6S/c1-53-24-25-54-22-5-19-46-37(50)6-3-2-4-23-55-38-27-36(47-33-17-20-49(21-18-33)56(51,52)40(43,44)45)34-26-30(11-16-35(34)48-38)39(28-7-12-31(41)13-8-28)29-9-14-32(42)15-10-29/h7-16,26-27,33,39H,2-6,17-25H2,1H3,(H,46,50)(H,47,48)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 69n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354901
PNG
(US9815790, 16)
Show SMILES CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(cc2c(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)ccnc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C59H84Cl2F3N3O17S/c1-58(2,3)84-55(68)15-19-71-20-21-72-22-23-73-24-25-74-26-27-75-28-29-76-30-31-77-32-33-78-34-35-79-36-37-80-38-39-81-40-41-82-42-43-83-54-45-48(56(46-4-8-49(60)9-5-46)47-6-10-50(61)11-7-47)44-52-53(12-16-65-57(52)54)66-51-13-17-67(18-14-51)85(69,70)59(62,63)64/h4-12,16,44-45,51,56H,13-15,17-43H2,1-3H3,(H,65,66)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 460n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354903
PNG
(US9815790, 18)
Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1ccnc2c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCOCCOCCOCCOCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc3cc(cc4c(NC5CCN(CC5)S(=O)(=O)C(F)(F)F)ccnc34)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C122H176Cl4F6N8O36S2/c123-103-11-3-97(4-12-103)117(98-5-13-104(124)14-6-98)101-93-109-111(137-107-21-31-139(32-22-107)177(143,144)121(127,128)129)19-29-135-119(109)113(95-101)175-91-89-173-87-85-171-83-81-169-79-77-167-75-73-165-71-69-163-67-65-161-63-61-159-59-57-157-55-53-155-51-49-153-45-41-149-37-25-115(141)133-27-1-35-147-39-43-151-47-48-152-44-40-148-36-2-28-134-116(142)26-38-150-42-46-154-50-52-156-54-56-158-58-60-160-62-64-162-66-68-164-70-72-166-74-76-168-78-80-170-82-84-172-86-88-174-90-92-176-114-96-102(118(99-7-15-105(125)16-8-99)100-9-17-106(126)18-10-100)94-110-112(20-30-136-120(110)114)138-108-23-33-140(34-24-108)178(145,146)122(130,131)132/h3-20,29-30,93-96,107-108,117-118H,1-2,21-28,31-92H2,(H,133,141)(H,134,142)(H,135,137)(H,136,138)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 500n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354907
PNG
(US9815790, 22)
Show SMILES COCCOCCOCCOCCOCCOCCOCCn1c2ccc(cc2c(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)cc1=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H54Cl2F3N3O10S/c1-55-18-19-57-22-23-59-26-27-61-29-28-60-25-24-58-21-20-56-17-16-51-40-11-6-34(42(32-2-7-35(44)8-3-32)33-4-9-36(45)10-5-33)30-38(40)39(31-41(51)52)49-37-12-14-50(15-13-37)62(53,54)43(46,47)48/h2-11,30-31,37,42,49H,12-29H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.91E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354907
PNG
(US9815790, 22)
Show SMILES COCCOCCOCCOCCOCCOCCOCCn1c2ccc(cc2c(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)cc1=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H54Cl2F3N3O10S/c1-55-18-19-57-22-23-59-26-27-61-29-28-60-25-24-58-21-20-56-17-16-51-40-11-6-34(42(32-2-7-35(44)8-3-32)33-4-9-36(45)10-5-33)30-38(40)39(31-41(51)52)49-37-12-14-50(15-13-37)62(53,54)43(46,47)48/h2-11,30-31,37,42,49H,12-29H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354894
PNG
(US9815790, 9)
Show SMILES OCCOCCOCCOCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C40H48Cl2F3N3O9S/c41-32-6-1-29(2-7-32)39(30-3-8-33(42)9-4-30)31-5-10-36-35(27-31)37(46-34-11-13-48(14-12-34)58(50,51)40(43,44)45)28-38(47-36)57-26-25-56-24-23-55-22-21-54-20-19-53-18-17-52-16-15-49/h1-10,27-28,34,39,49H,11-26H2,(H,46,47)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354895
PNG
(US9815790, 10 | US9815790, 14)
Show SMILES COCCOCCCNC(=O)CCCCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C40H47Cl2F3N4O6S/c1-53-24-25-54-22-5-19-46-37(50)6-3-2-4-23-55-38-27-36(47-33-17-20-49(21-18-33)56(51,52)40(43,44)45)34-26-30(11-16-35(34)48-38)39(28-7-12-31(41)13-8-28)29-9-14-32(42)15-10-29/h7-16,26-27,33,39H,2-6,17-25H2,1H3,(H,46,50)(H,47,48)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.60E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354898
PNG
(US9815790, 13)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCc1ccc(OCCOCCOCCOCCOc2cc(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)c3cc(ccc3n2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C65H89Cl2F3N4O19S/c1-78-22-23-80-26-27-82-30-31-84-34-35-86-38-39-87-37-36-85-33-32-83-29-28-81-25-24-79-21-18-71-64(75)93-50-51-2-13-58(14-3-51)91-46-44-89-42-40-88-41-43-90-45-47-92-62-49-61(72-57-16-19-74(20-17-57)94(76,77)65(68,69)70)59-48-54(8-15-60(59)73-62)63(52-4-9-55(66)10-5-52)53-6-11-56(67)12-7-53/h2-15,48-49,57,63H,16-47,50H2,1H3,(H,71,75)(H,72,73)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 240n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354903
PNG
(US9815790, 18)
Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1ccnc2c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCOCCOCCOCCOCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc3cc(cc4c(NC5CCN(CC5)S(=O)(=O)C(F)(F)F)ccnc34)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C122H176Cl4F6N8O36S2/c123-103-11-3-97(4-12-103)117(98-5-13-104(124)14-6-98)101-93-109-111(137-107-21-31-139(32-22-107)177(143,144)121(127,128)129)19-29-135-119(109)113(95-101)175-91-89-173-87-85-171-83-81-169-79-77-167-75-73-165-71-69-163-67-65-161-63-61-159-59-57-157-55-53-155-51-49-153-45-41-149-37-25-115(141)133-27-1-35-147-39-43-151-47-48-152-44-40-148-36-2-28-134-116(142)26-38-150-42-46-154-50-52-156-54-56-158-58-60-160-62-64-162-66-68-164-70-72-166-74-76-168-78-80-170-82-84-172-86-88-174-90-92-176-114-96-102(118(99-7-15-105(125)16-8-99)100-9-17-106(126)18-10-100)94-110-112(20-30-136-120(110)114)138-108-23-33-140(34-24-108)178(145,146)122(130,131)132/h3-20,29-30,93-96,107-108,117-118H,1-2,21-28,31-92H2,(H,133,141)(H,134,142)(H,135,137)(H,136,138)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>4.00E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354740
PNG
(US9815790, 2)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H54Cl2F3N3O10S/c1-54-16-17-55-18-19-56-20-21-57-22-23-58-24-25-59-26-27-60-28-29-61-41-31-40(49-37-12-14-51(15-13-37)62(52,53)43(46,47)48)38-30-34(6-11-39(38)50-41)42(32-2-7-35(44)8-3-32)33-4-9-36(45)10-5-33/h2-11,30-31,37,42H,12-29H2,1H3,(H,49,50)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.57E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354895
PNG
(US9815790, 10 | US9815790, 14)
Show SMILES COCCOCCCNC(=O)CCCCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C40H47Cl2F3N4O6S/c1-53-24-25-54-22-5-19-46-37(50)6-3-2-4-23-55-38-27-36(47-33-17-20-49(21-18-33)56(51,52)40(43,44)45)34-26-30(11-16-35(34)48-38)39(28-7-12-31(41)13-8-28)29-9-14-32(42)15-10-29/h7-16,26-27,33,39H,2-6,17-25H2,1H3,(H,46,50)(H,47,48)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 75n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354896
PNG
(US9815790, 11)
Show SMILES OCc1ccc(OCCOCCOCCOCCOCCOCCOc2cc(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)c3cc(ccc3n2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C47H54Cl2F3N3O10S/c48-38-8-3-35(4-9-38)46(36-5-10-39(49)11-6-36)37-7-14-43-42(31-37)44(53-40-15-17-55(18-16-40)66(57,58)47(50,51)52)32-45(54-43)65-30-28-63-26-24-61-22-20-59-19-21-60-23-25-62-27-29-64-41-12-1-34(33-56)2-13-41/h1-14,31-32,40,46,56H,15-30,33H2,(H,53,54)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 61n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354896
PNG
(US9815790, 11)
Show SMILES OCc1ccc(OCCOCCOCCOCCOCCOCCOc2cc(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)c3cc(ccc3n2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C47H54Cl2F3N3O10S/c48-38-8-3-35(4-9-38)46(36-5-10-39(49)11-6-36)37-7-14-43-42(31-37)44(53-40-15-17-55(18-16-40)66(57,58)47(50,51)52)32-45(54-43)65-30-28-63-26-24-61-22-20-59-19-21-60-23-25-62-27-29-64-41-12-1-34(33-56)2-13-41/h1-14,31-32,40,46,56H,15-30,33H2,(H,53,54)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.11E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354898
PNG
(US9815790, 13)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCc1ccc(OCCOCCOCCOCCOc2cc(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)c3cc(ccc3n2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C65H89Cl2F3N4O19S/c1-78-22-23-80-26-27-82-30-31-84-34-35-86-38-39-87-37-36-85-33-32-83-29-28-81-25-24-79-21-18-71-64(75)93-50-51-2-13-58(14-3-51)91-46-44-89-42-40-88-41-43-90-45-47-92-62-49-61(72-57-16-19-74(20-17-57)94(76,77)65(68,69)70)59-48-54(8-15-60(59)73-62)63(52-4-9-55(66)10-5-52)53-6-11-56(67)12-7-53/h2-15,48-49,57,63H,16-47,50H2,1H3,(H,71,75)(H,72,73)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.06E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354905
PNG
(US9815790, 20)
Show SMILES COCCOCCOc1ccc(Nc2cc(=O)[nH]c3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C33H30Cl2N2O4/c1-39-16-17-40-18-19-41-28-13-11-27(12-14-28)36-31-21-32(38)37-30-15-6-24(20-29(30)31)33(22-2-7-25(34)8-3-22)23-4-9-26(35)10-5-23/h2-15,20-21,33H,16-19H2,1H3,(H2,36,37,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.30E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354906
PNG
(US9815790, 21)
Show SMILES COCCOCCOCCOCCn1c2ccc(cc2c(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)cc1=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C37H42Cl2F3N3O7S/c1-49-18-19-51-22-23-52-21-20-50-17-16-45-34-11-6-28(36(26-2-7-29(38)8-3-26)27-4-9-30(39)10-5-27)24-32(34)33(25-35(45)46)43-31-12-14-44(15-13-31)53(47,48)37(40,41)42/h2-11,24-25,31,36,43H,12-23H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354909
PNG
(US9815790, 24)
Show SMILES COCCOCCOCCOCCn1c2ccc(cc2cc(N2CCN(CC2)c2ccccc2)c1=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C41H45Cl2N3O5/c1-48-23-24-50-27-28-51-26-25-49-22-21-46-38-16-11-33(40(31-7-12-35(42)13-8-31)32-9-14-36(43)15-10-32)29-34(38)30-39(41(46)47)45-19-17-44(18-20-45)37-5-3-2-4-6-37/h2-16,29-30,40H,17-28H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.51E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354741
PNG
(US9815790, 3)
Show SMILES CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C57H81Cl2F3N4O16S/c1-56(2,3)82-55(67)63-16-19-70-20-21-71-22-23-72-24-25-73-26-27-74-28-29-75-30-31-76-32-33-77-34-35-78-36-37-79-38-39-80-40-41-81-53-43-52(64-49-14-17-66(18-15-49)83(68,69)57(60,61)62)50-42-46(8-13-51(50)65-53)54(44-4-9-47(58)10-5-44)45-6-11-48(59)12-7-45/h4-13,42-43,49,54H,14-41H2,1-3H3,(H,63,67)(H,64,65)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354763
PNG
(US9815790, 5)
Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1cc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)Nc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)nc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C85H99Cl4F3N8O17S2/c86-68-13-1-61(2-14-68)81(62-3-15-69(87)16-4-62)66-12-24-78-75(57-66)79(96-72-27-32-100(33-28-72)119(104,105)85(90,91)92)59-80(98-78)117-56-55-116-54-53-115-52-51-114-50-49-113-48-47-112-46-45-111-44-43-110-42-41-109-40-39-108-38-37-107-36-35-106-34-29-93-84(101)65-9-21-74(22-10-65)118(102,103)99-30-25-73(26-31-99)97-83-76-58-67(11-23-77(76)94-60-95-83)82(63-5-17-70(88)18-6-63)64-7-19-71(89)20-8-64/h1-24,57-60,72-73,81-82H,25-56H2,(H,93,101)(H,96,98)(H,94,95,97)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354892
PNG
(US9815790, 7)
Show SMILES NNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C55H77Cl2F3N6O14S/c56-45-10-5-42(6-11-45)54(43-7-12-46(57)13-8-43)44-9-14-49-48(40-44)50(63-47-15-19-66(20-16-47)81(69,70)55(58,59)60)41-53(64-49)80-21-3-1-2-4-51(67)62-18-23-72-25-27-74-29-31-76-33-35-78-37-39-79-38-36-77-34-32-75-30-28-73-26-24-71-22-17-52(68)65-61/h5-14,40-41,47,54H,1-4,15-39,61H2,(H,62,67)(H,63,64)(H,65,68)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.26E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354893
PNG
(US9815790, 8)
Show SMILES OCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H36Cl2F3N3O6S/c35-26-6-1-23(2-7-26)33(24-3-8-27(36)9-4-24)25-5-10-30-29(21-25)31(22-32(41-30)48-20-19-47-18-17-46-16-15-43)40-28-11-13-42(14-12-28)49(44,45)34(37,38)39/h1-10,21-22,28,33,43H,11-20H2,(H,40,41)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 52n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354895
PNG
(US9815790, 10 | US9815790, 14)
Show SMILES COCCOCCCNC(=O)CCCCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C40H47Cl2F3N4O6S/c1-53-24-25-54-22-5-19-46-37(50)6-3-2-4-23-55-38-27-36(47-33-17-20-49(21-18-33)56(51,52)40(43,44)45)34-26-30(11-16-35(34)48-38)39(28-7-12-31(41)13-8-28)29-9-14-32(42)15-10-29/h7-16,26-27,33,39H,2-6,17-25H2,1H3,(H,46,50)(H,47,48)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 710n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354900
PNG
(US9815790, 15)
Show SMILES OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(cc2c(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)ccnc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H64Cl2F3N3O13S/c49-40-5-1-37(2-6-40)46(38-3-7-41(50)8-4-38)39-35-43-44(55-42-10-13-56(14-11-42)70(58,59)48(51,52)53)9-12-54-47(43)45(36-39)69-34-33-68-32-31-67-30-29-66-28-27-65-26-25-64-24-23-63-22-21-62-20-19-61-18-17-60-16-15-57/h1-9,12,35-36,42,46,57H,10-11,13-34H2,(H,54,55)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 68n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354902
PNG
(US9815790, 17)
Show SMILES OC(=C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(cc2c(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)ccnc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C56H78Cl2F3N3O16S/c1-44(65)13-17-68-18-19-69-20-21-70-22-23-71-24-25-72-26-27-73-28-29-74-30-31-75-32-33-76-34-35-77-36-37-78-38-39-79-40-41-80-53-43-47(54(45-2-6-48(57)7-3-45)46-4-8-49(58)9-5-46)42-51-52(10-14-62-55(51)53)63-50-11-15-64(16-12-50)81(66,67)56(59,60)61/h2-10,14,42-43,50,54,65H,1,11-13,15-41H2,(H,62,63)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 740n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354732
PNG
(US9815790, 1)
Show SMILES COCCOCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C37H42Cl2F3N3O7S/c1-48-16-17-49-18-19-50-20-21-51-22-23-52-35-25-34(43-31-12-14-45(15-13-31)53(46,47)37(40,41)42)32-24-28(6-11-33(32)44-35)36(26-2-7-29(38)8-3-26)27-4-9-30(39)10-5-27/h2-11,24-25,31,36H,12-23H2,1H3,(H,43,44)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 56n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354740
PNG
(US9815790, 2)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H54Cl2F3N3O10S/c1-54-16-17-55-18-19-56-20-21-57-22-23-58-24-25-59-26-27-60-28-29-61-41-31-40(49-37-12-14-51(15-13-37)62(52,53)43(46,47)48)38-30-34(6-11-39(38)50-41)42(32-2-7-35(44)8-3-32)33-4-9-36(45)10-5-33/h2-11,30-31,37,42H,12-29H2,1H3,(H,49,50)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 480n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354759
PNG
(US9815790, 4)
Show SMILES NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C52H73Cl2F3N4O14S/c53-44-6-1-41(2-7-44)51(42-3-8-45(54)9-4-42)43-5-10-48-47(39-43)49(59-46-11-14-61(15-12-46)76(62,63)52(55,56)57)40-50(60-48)75-38-37-74-36-35-73-34-33-72-32-31-71-30-29-70-28-27-69-26-25-68-24-23-67-22-21-66-20-19-65-18-17-64-16-13-58/h1-10,39-40,46,51H,11-38,58H2,(H,59,60)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 36n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354897
PNG
(US9815790, 12)
Show SMILES NNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C60H87Cl2F3N6O19S/c61-50-6-1-47(2-7-50)58(48-3-8-51(62)9-4-48)49-5-10-54-53(45-49)55(68-52-11-15-71(16-12-52)91(74,75)60(63,64)65)46-57(69-54)89-43-41-87-39-40-88-42-44-90-59(73)67-14-18-77-20-22-79-24-26-81-28-30-83-32-34-85-36-38-86-37-35-84-33-31-82-29-27-80-25-23-78-21-19-76-17-13-56(72)70-66/h1-10,45-46,52,58H,11-44,66H2,(H,67,73)(H,68,69)(H,70,72)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.40E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354900
PNG
(US9815790, 15)
Show SMILES OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(cc2c(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)ccnc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H64Cl2F3N3O13S/c49-40-5-1-37(2-6-40)46(38-3-7-41(50)8-4-38)39-35-43-44(55-42-10-13-56(14-11-42)70(58,59)48(51,52)53)9-12-54-47(43)45(36-39)69-34-33-68-32-31-67-30-29-66-28-27-65-26-25-64-24-23-63-22-21-62-20-19-61-18-17-60-16-15-57/h1-9,12,35-36,42,46,57H,10-11,13-34H2,(H,54,55)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.90E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354904
PNG
(US9815790, 19)
Show SMILES CCCOCCCNC(=O)CCCCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C40H47Cl2F3N4O5S/c1-2-23-53-24-6-20-46-37(50)7-4-3-5-25-54-38-27-36(47-33-18-21-49(22-19-33)55(51,52)40(43,44)45)34-26-30(12-17-35(34)48-38)39(28-8-13-31(41)14-9-28)29-10-15-32(42)16-11-29/h8-17,26-27,33,39H,2-7,18-25H2,1H3,(H,46,50)(H,47,48)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>4.00E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354763
PNG
(US9815790, 5)
Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1cc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)Nc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)nc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C85H99Cl4F3N8O17S2/c86-68-13-1-61(2-14-68)81(62-3-15-69(87)16-4-62)66-12-24-78-75(57-66)79(96-72-27-32-100(33-28-72)119(104,105)85(90,91)92)59-80(98-78)117-56-55-116-54-53-115-52-51-114-50-49-113-48-47-112-46-45-111-44-43-110-42-41-109-40-39-108-38-37-107-36-35-106-34-29-93-84(101)65-9-21-74(22-10-65)118(102,103)99-30-25-73(26-31-99)97-83-76-58-67(11-23-77(76)94-60-95-83)82(63-5-17-70(88)18-6-63)64-7-19-71(89)20-8-64/h1-24,57-60,72-73,81-82H,25-56H2,(H,93,101)(H,96,98)(H,94,95,97)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.08E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354901
PNG
(US9815790, 16)
Show SMILES CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(cc2c(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)ccnc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C59H84Cl2F3N3O17S/c1-58(2,3)84-55(68)15-19-71-20-21-72-22-23-73-24-25-74-26-27-75-28-29-76-30-31-77-32-33-78-34-35-79-36-37-80-38-39-81-40-41-82-42-43-83-54-45-48(56(46-4-8-49(60)9-5-46)47-6-10-50(61)11-7-47)44-52-53(12-16-65-57(52)54)66-51-13-17-67(18-14-51)85(69,70)59(62,63)64/h4-12,16,44-45,51,56H,13-15,17-43H2,1-3H3,(H,65,66)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.25E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354902
PNG
(US9815790, 17)
Show SMILES OC(=C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(cc2c(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)ccnc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C56H78Cl2F3N3O16S/c1-44(65)13-17-68-18-19-69-20-21-70-22-23-71-24-25-72-26-27-73-28-29-74-30-31-75-32-33-76-34-35-77-36-37-78-38-39-79-40-41-80-53-43-47(54(45-2-6-48(57)7-3-45)46-4-8-49(58)9-5-46)42-51-52(10-14-62-55(51)53)63-50-11-15-64(16-12-50)81(66,67)56(59,60)61/h2-10,14,42-43,50,54,65H,1,11-13,15-41H2,(H,62,63)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 77n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354908
PNG
(US9815790, 23)
Show SMILES CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn1c2ccc(cc2c(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)cc1=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C57H81Cl2F3N4O16S/c1-56(2,3)82-55(68)63-16-20-71-22-24-73-26-28-75-30-32-77-34-36-79-38-40-81-41-39-80-37-35-78-33-31-76-29-27-74-25-23-72-21-19-66-52-13-8-46(54(44-4-9-47(58)10-5-44)45-6-11-48(59)12-7-45)42-50(52)51(43-53(66)67)64-49-14-17-65(18-15-49)83(69,70)57(60,61)62/h4-13,42-43,49,54,64H,14-41H2,1-3H3,(H,63,68)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.00E+4n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354891
PNG
(US9815790, 6)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C57H81Cl2F3N4O15S/c1-70-23-24-72-27-28-74-31-32-76-35-36-78-39-40-80-42-41-79-38-37-77-34-33-75-30-29-73-26-25-71-22-18-63-54(67)5-3-2-4-21-81-55-44-53(64-50-16-19-66(20-17-50)82(68,69)57(60,61)62)51-43-47(10-15-52(51)65-55)56(45-6-11-48(58)12-7-45)46-8-13-49(59)14-9-46/h6-15,43-44,50,56H,2-5,16-42H2,1H3,(H,63,67)(H,64,65)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 19n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354891
PNG
(US9815790, 6)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C57H81Cl2F3N4O15S/c1-70-23-24-72-27-28-74-31-32-76-35-36-78-39-40-80-42-41-79-38-37-77-34-33-75-30-29-73-26-25-71-22-18-63-54(67)5-3-2-4-21-81-55-44-53(64-50-16-19-66(20-17-50)82(68,69)57(60,61)62)51-43-47(10-15-52(51)65-55)56(45-6-11-48(58)12-7-45)46-8-13-49(59)14-9-46/h6-15,43-44,50,56H,2-5,16-42H2,1H3,(H,63,67)(H,64,65)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.00E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM354897
PNG
(US9815790, 12)
Show SMILES NNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C60H87Cl2F3N6O19S/c61-50-6-1-47(2-7-50)58(48-3-8-51(62)9-4-48)49-5-10-54-53(45-49)55(68-52-11-15-71(16-12-52)91(74,75)60(63,64)65)46-57(69-54)89-43-41-87-39-40-88-42-44-90-59(73)67-14-18-77-20-22-79-24-26-81-28-30-83-32-34-85-36-38-86-37-35-84-33-31-82-29-27-80-25-23-78-21-19-76-17-13-56(72)70-66/h1-10,45-46,52,58H,11-44,66H2,(H,67,73)(H,68,69)(H,70,72)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 94n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354908
PNG
(US9815790, 23)
Show SMILES CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn1c2ccc(cc2c(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)cc1=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C57H81Cl2F3N4O16S/c1-56(2,3)82-55(68)63-16-20-71-22-24-73-26-28-75-30-32-77-34-36-79-38-40-81-41-39-80-37-35-78-33-31-76-29-27-74-25-23-72-21-19-66-52-13-8-46(54(44-4-9-47(58)10-5-44)45-6-11-48(59)12-7-45)42-50(52)51(43-53(66)67)64-49-14-17-65(18-15-49)83(69,70)57(60,61)62/h4-13,42-43,49,54,64H,14-41H2,1-3H3,(H,63,68)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM354759
PNG
(US9815790, 4)
Show SMILES NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C52H73Cl2F3N4O14S/c53-44-6-1-41(2-7-44)51(42-3-8-45(54)9-4-42)43-5-10-48-47(39-43)49(59-46-11-14-61(15-12-46)76(62,63)52(55,56)57)40-50(60-48)75-38-37-74-36-35-73-34-33-72-32-31-71-30-29-70-28-27-69-26-25-68-24-23-67-22-21-66-20-19-65-18-17-64-16-13-58/h1-10,39-40,46,51H,11-38,58H2,(H,59,60)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.30E+3n/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The ...


US Patent US9815790 (2017)


BindingDB Entry DOI: 10.7270/Q200047D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%