Compile Data Set for Download or QSAR
Found 83 with Last Name = 'igarashi' and Initial = 's'
TargetFatty acid-binding protein, adipocyte(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50177675(CHEMBL3814634)
Show SMILES CC(C)Oc1cccc(c1)-c1c(-c2c(C)n[nH]c2C)c2cc(ccc2n1CCC(O)=O)C1CC1
Show InChI InChI=1S/C28H31N3O3/c1-16(2)34-22-7-5-6-21(14-22)28-27(26-17(3)29-30-18(26)4)23-15-20(19-8-9-19)10-11-24(23)31(28)13-12-25(32)33/h5-7,10-11,14-16,19H,8-9,12-13H2,1-4H3,(H,29,30)(H,32,33)
Affinity DataKi:  30nMAssay Description:Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assayMore data for this Ligand-Target Pair
TargetFatty acid-binding protein, adipocyte(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50177674(CHEMBL3813892)
Show SMILES COc1cnccc1-c1c(-c2ccccc2)n(CCC(O)=O)c2ccc(cc12)C1CC1
Show InChI InChI=1S/C26H24N2O3/c1-31-23-16-27-13-11-20(23)25-21-15-19(17-7-8-17)9-10-22(21)28(14-12-24(29)30)26(25)18-5-3-2-4-6-18/h2-6,9-11,13,15-17H,7-8,12,14H2,1H3,(H,29,30)
Affinity DataKi:  100nMAssay Description:Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assayMore data for this Ligand-Target Pair
TargetFatty acid-binding protein, adipocyte(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50177673(CHEMBL3814575)
Show SMILES OC(=O)CCn1c(c(-c2ccccc2)c2cc(ccc12)C1CC1)-c1ccccc1
Show InChI InChI=1S/C26H23NO2/c28-24(29)15-16-27-23-14-13-21(18-11-12-18)17-22(23)25(19-7-3-1-4-8-19)26(27)20-9-5-2-6-10-20/h1-10,13-14,17-18H,11-12,15-16H2,(H,28,29)
Affinity DataKi:  120nMAssay Description:Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assayMore data for this Ligand-Target Pair
TargetFatty acid-binding protein, adipocyte(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50212873(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
Affinity DataKi:  160nMAssay Description:Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assayMore data for this Ligand-Target Pair
TargetFatty acid-binding protein, adipocyte(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50177672(CHEMBL1586017)
Show SMILES OC(=O)CCn1c(cc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C17H15NO2/c19-17(20)10-11-18-15-9-5-4-8-14(15)12-16(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20)
Affinity DataKi: >1.40E+3nMAssay Description:Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50244126(CHEMBL459464 | N-cycloheptyl-7-methoxy-2-(4-(pyrro...)
Show SMILES COc1ccc2c(NC3CCCCCC3)nc(nc2c1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H37N5O/c1-31-21-10-11-22-23(18-21)27-25(28-24(22)26-19-8-4-2-3-5-9-19)30-16-12-20(13-17-30)29-14-6-7-15-29/h10-11,18-20H,2-9,12-17H2,1H3,(H,26,27,28)
Affinity DataIC50: 13nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50244050(C-014C | CHEMBL509396 | N-Cycloheptyl-2-[4-(cyclop...)
Show SMILES COc1cc2nc(NC3CCCC3)nc(NC3CCCCCC3)c2cc1OC
Show InChI InChI=1S/C22H32N4O2/c1-27-19-13-17-18(14-20(19)28-2)25-22(24-16-11-7-8-12-16)26-21(17)23-15-9-5-3-4-6-10-15/h13-16H,3-12H2,1-2H3,(H2,23,24,25,26)
Affinity DataIC50: 13nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50244083(CHEMBL451783 | N-cycloheptyl-2-(4-(cyclopentyl(met...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N(C)C1CCCC1
Show InChI InChI=1S/C28H43N5O2/c1-32(21-12-8-9-13-21)22-14-16-33(17-15-22)28-30-24-19-26(35-3)25(34-2)18-23(24)27(31-28)29-20-10-6-4-5-7-11-20/h18-22H,4-17H2,1-3H3,(H,29,30,31)
Affinity DataIC50: 18nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50243945(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
Affinity DataIC50: 18nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50243945(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
Affinity DataIC50: 18nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50244380(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 19nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50244380(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 19nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Mus musculus)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265742(CHEMBL521737 | {1'-[4-(Cycloheptylamino)-6,7-dimet...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31)
Affinity DataIC50: 19nMAssay Description:Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265669((1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinaz...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C27H34ClN5O3/c1-35-24-14-22-23(15-25(24)36-2)30-27(31-26(22)29-20-7-5-19(28)6-8-20)32-12-9-21(10-13-32)33-11-3-4-18(16-33)17-34/h5-8,14-15,18,21,34H,3-4,9-13,16-17H2,1-2H3,(H,29,30,31)
Affinity DataIC50: 19nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50244380(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 19nMAssay Description:Displacement of [121I]CCL22 from human CCR4 receptor by scintillation proximity assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265669((1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinaz...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C27H34ClN5O3/c1-35-24-14-22-23(15-25(24)36-2)30-27(31-26(22)29-20-7-5-19(28)6-8-20)32-12-9-21(10-13-32)33-11-3-4-18(16-33)17-34/h5-8,14-15,18,21,34H,3-4,9-13,16-17H2,1-2H3,(H,29,30,31)
Affinity DataIC50: 23nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245036(CHEMBL486840 | N-(4-Chlorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H30ClN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 24nMAssay Description:Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245036(CHEMBL486840 | N-(4-Chlorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H30ClN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 24nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245034(CHEMBL488018 | N-(3,4-Difluorophenyl)-6,7-dimethox...)
Show SMILES COc1cc2nc(nc(Nc3ccc(F)c(F)c3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H29F2N5O2/c1-33-22-14-18-21(15-23(22)34-2)29-25(30-24(18)28-16-5-6-19(26)20(27)13-16)32-11-7-17(8-12-32)31-9-3-4-10-31/h5-6,13-15,17H,3-4,7-12H2,1-2H3,(H,28,29,30)
Affinity DataIC50: 25nMAssay Description:Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265742(CHEMBL521737 | {1'-[4-(Cycloheptylamino)-6,7-dimet...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31)
Affinity DataIC50: 30nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50244125(CHEMBL516936 | N-cycloheptyl-6-methoxy-2-(4-(pyrro...)
Show SMILES COc1ccc2nc(nc(NC3CCCCCC3)c2c1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H37N5O/c1-31-21-10-11-23-22(18-21)24(26-19-8-4-2-3-5-9-19)28-25(27-23)30-16-12-20(13-17-30)29-14-6-7-15-29/h10-11,18-20H,2-9,12-17H2,1H3,(H,26,27,28)
Affinity DataIC50: 31nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245069(CHEMBL487835 | N-(4-Fluorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COc1cc2nc(nc(Nc3ccc(F)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H30FN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 31nMAssay Description:Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50243946(CHEMBL453594 | N-cycloheptyl-2-(4-(4-fluoropiperid...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCC(F)CC1
Show InChI InChI=1S/C27H40FN5O2/c1-34-24-17-22-23(18-25(24)35-2)30-27(31-26(22)29-20-7-5-3-4-6-8-20)33-15-11-21(12-16-33)32-13-9-19(28)10-14-32/h17-21H,3-16H2,1-2H3,(H,29,30,31)
Affinity DataIC50: 32nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Mus musculus)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50243945(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
Affinity DataIC50: 39nMAssay Description:Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245071(3-[(1-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquin...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N(C)CCCO
Show InChI InChI=1S/C25H32ClN5O3/c1-30(11-4-14-32)19-9-12-31(13-10-19)25-28-21-16-23(34-3)22(33-2)15-20(21)24(29-25)27-18-7-5-17(26)6-8-18/h5-8,15-16,19,32H,4,9-14H2,1-3H3,(H,27,28,29)
Affinity DataIC50: 43nMAssay Description:Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265667(1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinazo...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(O)C1
Show InChI InChI=1S/C26H32ClN5O3/c1-34-23-14-21-22(15-24(23)35-2)29-26(30-25(21)28-18-7-5-17(27)6-8-18)31-12-9-19(10-13-31)32-11-3-4-20(33)16-32/h5-8,14-15,19-20,33H,3-4,9-13,16H2,1-2H3,(H,28,29,30)
Affinity DataIC50: 48nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265670(CHEMBL526474 | N-(4-Chlorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COCC1CCCN(C1)C1CCN(CC1)c1nc(Nc2ccc(Cl)cc2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C28H36ClN5O3/c1-35-18-19-5-4-12-34(17-19)22-10-13-33(14-11-22)28-31-24-16-26(37-3)25(36-2)15-23(24)27(32-28)30-21-8-6-20(29)7-9-21/h6-9,15-16,19,22H,4-5,10-14,17-18H2,1-3H3,(H,30,31,32)
Affinity DataIC50: 52nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Mus musculus)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265669((1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinaz...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C27H34ClN5O3/c1-35-24-14-22-23(15-25(24)36-2)30-27(31-26(22)29-20-7-5-19(28)6-8-20)32-12-9-21(10-13-32)33-11-3-4-18(16-33)17-34/h5-8,14-15,18,21,34H,3-4,9-13,16-17H2,1-2H3,(H,29,30,31)
Affinity DataIC50: 58nMAssay Description:Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265749(1'-(4-{[2-(4-Chlorophenyl)ethyl]amino}-6,7-dimetho...)
Show SMILES COc1cc2nc(nc(NCCc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C29H38ClN5O3/c1-37-26-16-24-25(17-27(26)38-2)32-29(33-28(24)31-12-9-20-5-7-22(30)8-6-20)34-14-10-23(11-15-34)35-13-3-4-21(18-35)19-36/h5-8,16-17,21,23,36H,3-4,9-15,18-19H2,1-2H3,(H,31,32,33)
Affinity DataIC50: 61nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245072(4-[(1-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquin...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N(C)CCCCO
Show InChI InChI=1S/C26H34ClN5O3/c1-31(12-4-5-15-33)20-10-13-32(14-11-20)26-29-22-17-24(35-3)23(34-2)16-21(22)25(30-26)28-19-8-6-18(27)7-9-19/h6-9,16-17,20,33H,4-5,10-15H2,1-3H3,(H,28,29,30)
Affinity DataIC50: 61nMAssay Description:Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265670(CHEMBL526474 | N-(4-Chlorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COCC1CCCN(C1)C1CCN(CC1)c1nc(Nc2ccc(Cl)cc2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C28H36ClN5O3/c1-35-18-19-5-4-12-34(17-19)22-10-13-33(14-11-22)28-31-24-16-26(37-3)25(36-2)15-23(24)27(32-28)30-21-8-6-20(29)7-9-21/h6-9,15-16,19,22H,4-5,10-14,17-18H2,1-3H3,(H,30,31,32)
Affinity DataIC50: 64nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245034(CHEMBL488018 | N-(3,4-Difluorophenyl)-6,7-dimethox...)
Show SMILES COc1cc2nc(nc(Nc3ccc(F)c(F)c3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H29F2N5O2/c1-33-22-14-18-21(15-23(22)34-2)29-25(30-24(18)28-16-5-6-19(26)20(27)13-16)32-11-7-17(8-12-32)31-9-3-4-10-31/h5-6,13-15,17H,3-4,7-12H2,1-2H3,(H,28,29,30)
Affinity DataIC50: 69nMAssay Description:Antagonist activity at human CCR4 receptor assessed as inhibition of CCL22-induced chemotaxis by bioluminescent assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50244380(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 70nMAssay Description:Displacement of [121I]CCL22 from human CCR4 receptor by scintillation proximity assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50244380(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 70nMAssay Description:Displacement of [125I]CCl22 from human CCR4 receptor expressed in mouse B300-19 cells by SPAMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50243945(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
Affinity DataIC50: 73nMAssay Description:Displacement of [125I]CCl22 from human CCR4 receptor expressed in mouse B300-19 cells by SPAMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265667(1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinazo...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(O)C1
Show InChI InChI=1S/C26H32ClN5O3/c1-34-23-14-21-22(15-24(23)35-2)29-26(30-25(21)28-18-7-5-17(27)6-8-18)31-12-9-19(10-13-31)32-11-3-4-20(33)16-32/h5-8,14-15,19-20,33H,3-4,9-13,16H2,1-2H3,(H,28,29,30)
Affinity DataIC50: 85nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265748((1'-{4-[(4-Chlorobenzyl)amino]-6,7-dimethoxyquinaz...)
Show SMILES COc1cc2nc(nc(NCc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C28H36ClN5O3/c1-36-25-14-23-24(15-26(25)37-2)31-28(32-27(23)30-16-19-5-7-21(29)8-6-19)33-12-9-22(10-13-33)34-11-3-4-20(17-34)18-35/h5-8,14-15,20,22,35H,3-4,9-13,16-18H2,1-2H3,(H,30,31,32)
Affinity DataIC50: 87nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245112(CHEMBL488690 | N-(4-Chlorophenyl)-2-{4-[2-(diethyl...)
Show SMILES CCN(CC)CCN1CCCN(CC1)c1nc(Nc2ccc(Cl)cc2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C27H37ClN6O2/c1-5-32(6-2)14-15-33-12-7-13-34(17-16-33)27-30-23-19-25(36-4)24(35-3)18-22(23)26(31-27)29-21-10-8-20(28)9-11-21/h8-11,18-19H,5-7,12-17H2,1-4H3,(H,29,30,31)
Affinity DataIC50: 92nMAssay Description:Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245070(2-[(1-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquin...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N(C)CCO
Show InChI InChI=1S/C24H30ClN5O3/c1-29(12-13-31)18-8-10-30(11-9-18)24-27-20-15-22(33-3)21(32-2)14-19(20)23(28-24)26-17-6-4-16(25)5-7-17/h4-7,14-15,18,31H,8-13H2,1-3H3,(H,26,27,28)
Affinity DataIC50: 98nMAssay Description:Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265668(CHEMBL496152 | N-(4-chlorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COC1CCCN(C1)C1CCN(CC1)c1nc(Nc2ccc(Cl)cc2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C27H34ClN5O3/c1-34-21-5-4-12-33(17-21)20-10-13-32(14-11-20)27-30-23-16-25(36-3)24(35-2)15-22(23)26(31-27)29-19-8-6-18(28)7-9-19/h6-9,15-16,20-21H,4-5,10-14,17H2,1-3H3,(H,29,30,31)
Affinity DataIC50: 100nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265733(CHEMBL496787 | [4-(1-{4-[(4-Chlorophenyl)amino]-6,...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCOC(CO)C1
Show InChI InChI=1S/C26H32ClN5O4/c1-34-23-13-21-22(14-24(23)35-2)29-26(30-25(21)28-18-5-3-17(27)4-6-18)31-9-7-19(8-10-31)32-11-12-36-20(15-32)16-33/h3-6,13-14,19-20,33H,7-12,15-16H2,1-2H3,(H,28,29,30)
Affinity DataIC50: 100nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50265742(CHEMBL521737 | {1'-[4-(Cycloheptylamino)-6,7-dimet...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31)
Affinity DataIC50: 100nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245036(CHEMBL486840 | N-(4-Chlorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H30ClN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 110nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245036(CHEMBL486840 | N-(4-Chlorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H30ClN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 110nMAssay Description:Antagonist activity at human CCR4 receptor assessed as inhibition of CCL22-induced chemotaxis by bioluminescent assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Mus musculus)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50244380(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 130nMAssay Description:Antagonist activity at mouse CCR4 receptor assessed as inhibition of CCL22-induced chemotaxis by bioluminescent assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Mus musculus)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50244380(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 130nMAssay Description:Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Mus musculus)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245036(CHEMBL486840 | N-(4-Chlorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H30ClN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 130nMAssay Description:Antagonist activity at mouse CCR4 receptor assessed as inhibition of CCL22-induced chemotaxis by bioluminescent assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Mus musculus)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245036(CHEMBL486840 | N-(4-Chlorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H30ClN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29)
Affinity DataIC50: 130nMAssay Description:Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50245114(CHEMBL488855 | N-(4-Chlorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCCN(CCN2CCCCC2)CC1
Show InChI InChI=1S/C28H37ClN6O2/c1-36-25-19-23-24(20-26(25)37-2)31-28(32-27(23)30-22-9-7-21(29)8-10-22)35-14-6-13-34(17-18-35)16-15-33-11-4-3-5-12-33/h7-10,19-20H,3-6,11-18H2,1-2H3,(H,30,31,32)
Affinity DataIC50: 130nMAssay Description:Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50243945(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
Affinity DataIC50: 140nMAssay Description:Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxisMore data for this Ligand-Target Pair
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