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Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'lock' and Initial = 'cj'   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50372007
PNG
(CHEMBL257017)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1[C@H]3CC[C@@H]1C[C@H](C3)Nc1ccc3cc(ccc3n1)C(F)(F)F)C2 |w:4.40,8.9,t:10,TLB:1:3:10.35.9:7.5.6,THB:11:12:19.18.17:14.15|
Show InChI InChI=1S/C28H33F3N4O/c1-17(36)35-24-3-2-4-25(35)12-18(11-24)16-34-22-7-8-23(34)15-21(14-22)32-27-10-5-19-13-20(28(29,30)31)6-9-26(19)33-27/h5-6,9-11,13,21-25H,2-4,7-8,12,14-16H2,1H3,(H,32,33)/t21-,22-,23+,24?,25?
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3n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50372000
PNG
(CHEMBL256851)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1[C@H]3CC[C@@H]1C[C@H](C3)Nc1ccc3ccc(cc3n1)C(F)(F)F)C2 |w:4.40,8.9,t:10,TLB:1:3:10.35.9:7.5.6,THB:11:12:19.18.17:14.15|
Show InChI InChI=1S/C28H33F3N4O/c1-17(36)35-24-3-2-4-25(35)12-18(11-24)16-34-22-8-9-23(34)15-21(14-22)32-27-10-6-19-5-7-20(28(29,30)31)13-26(19)33-27/h5-7,10-11,13,21-25H,2-4,8-9,12,14-16H2,1H3,(H,32,33)/t21-,22-,23+,24?,25?
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4n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50372006
PNG
(CHEMBL256850)
Show SMILES CC(C)Oc1ccc2ccc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC3=CC4CCCC(C3)N4C(C)=O)nc2c1 |w:27.29,23.24,t:23,TLB:30:29:21.28.22:24.26.25,THB:20:19:13.12.18:15.16|
Show InChI InChI=1S/C30H40N4O2/c1-19(2)36-28-11-7-22-8-12-30(32-29(22)17-28)31-23-15-24-9-10-25(16-23)33(24)18-21-13-26-5-4-6-27(14-21)34(26)20(3)35/h7-8,11-13,17,19,23-27H,4-6,9-10,14-16,18H2,1-3H3,(H,31,32)/t23-,24-,25+,26?,27?
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5n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50372005
PNG
(CHEMBL429598)
Show SMILES CC(C)Oc1cc(F)c2ccc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC3=CC4CCCC(C3)N4C(C)=O)nc2c1 |w:28.30,24.25,t:24,TLB:31:30:22.29.23:25.27.26,THB:21:20:14.13.19:16.17|
Show InChI InChI=1S/C30H39FN4O2/c1-18(2)37-26-15-28(31)27-9-10-30(33-29(27)16-26)32-21-13-22-7-8-23(14-21)34(22)17-20-11-24-5-4-6-25(12-20)35(24)19(3)36/h9-11,15-16,18,21-25H,4-8,12-14,17H2,1-3H3,(H,32,33)/t21-,22-,23+,24?,25?
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6n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50372008
PNG
(CHEMBL444542)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1[C@H]3CC[C@@H]1C[C@H](C3)Nc1ccc3cc(OC(F)(F)F)ccc3n1)C2 |w:4.41,8.9,t:10,TLB:1:3:10.36.9:7.5.6,THB:11:12:19.18.17:14.15|
Show InChI InChI=1S/C28H33F3N4O2/c1-17(36)35-23-3-2-4-24(35)12-18(11-23)16-34-21-6-7-22(34)15-20(14-21)32-27-10-5-19-13-25(37-28(29,30)31)8-9-26(19)33-27/h5,8-11,13,20-24H,2-4,6-7,12,14-16H2,1H3,(H,32,33)/t20-,21-,22+,23?,24?
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6n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50372011
PNG
(CHEMBL271847)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3ccc(cc3n1)C(F)(F)F)C2 |w:4.37,8.9,t:10,TLB:1:3:10.33.9:7.5.6|
Show InChI InChI=1S/C26H31F3N4O/c1-17(34)33-22-3-2-4-23(33)14-18(13-22)16-32-11-9-21(10-12-32)30-25-8-6-19-5-7-20(26(27,28)29)15-24(19)31-25/h5-8,13,15,21-23H,2-4,9-12,14,16H2,1H3,(H,30,31)
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7n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50227863
PNG
(1-(1-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)...)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2 |w:4.36,8.9,t:10,TLB:1:3:10.33.9:7.5.6|
Show InChI InChI=1S/C24H30F4N4O2/c1-15(33)32-21-3-2-4-22(32)10-16(9-21)14-31-7-5-19(6-8-31)29-23(34)30-20-12-17(24(26,27)28)11-18(25)13-20/h9,11-13,19,21-22H,2-8,10,14H2,1H3,(H2,29,30,34)
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9n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300394
PNG
(US10130619, Example 103)
Show SMILES COc1cc(ccc1O[C@@H](C)c1ccccn1)C(=O)Nc1nnc(s1)-c1ccncc1F |r|
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13n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300391
PNG
(US10130619, Example 96)
Show SMILES COc1cc(ccc1OCc1ccc(F)cc1)C(=O)Nc1nnc(s1)-c1ccncc1
KEGG

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14n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50372015
PNG
(CHEMBL402514)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3c(cc(nc3n1)C(F)(F)F)C(F)(F)F)C2 |w:4.41,8.9,t:10,TLB:1:3:10.37.9:7.5.6|
Show InChI InChI=1S/C26H29F6N5O/c1-15(38)37-18-3-2-4-19(37)12-16(11-18)14-36-9-7-17(8-10-36)33-23-6-5-20-21(25(27,28)29)13-22(26(30,31)32)34-24(20)35-23/h5-6,11,13,17-19H,2-4,7-10,12,14H2,1H3,(H,33,34,35)
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15n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300407
PNG
(US10130619, Example 151)
Show SMILES COc1cc(ccc1OC1CCc2ncccc12)C(=O)Nc1nnc(s1)-c1ccncc1
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15n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50372012
PNG
(CHEMBL404028)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3cc(OC(F)(F)F)ccc3n1)C2 |w:4.38,8.9,t:10,TLB:1:3:10.34.9:7.5.6|
Show InChI InChI=1S/C26H31F3N4O2/c1-17(34)33-21-3-2-4-22(33)14-18(13-21)16-32-11-9-20(10-12-32)30-25-8-5-19-15-23(35-26(27,28)29)6-7-24(19)31-25/h5-8,13,15,20-22H,2-4,9-12,14,16H2,1H3,(H,30,31)
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18n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300372
PNG
(US10130619, Example 52)
Show SMILES C[C@H](Oc1ncc(cc1NCC1CCOCC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
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18n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300361
PNG
() | US10130619, Example 22)
Show SMILES COCCNc1cc(cnc1O[C@@H](C)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
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18n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM282972
PNG
() | US10130619, Example 1)
Show SMILES CC(Oc1ccc(cc1OCC1CCNCC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |$;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;$|
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18n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300373
PNG
(US10130619, Example 53)
Show SMILES C[C@H](Oc1ncc(cc1NCC1CCN(C)CC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
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19n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300395
PNG
(US10130619, Example 105)
Show SMILES COc1cc(ccc1O[C@@H](CO)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1F |r|
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19n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50372009
PNG
(CHEMBL271636)
Show SMILES COc1cc(F)c2ccc(NC3CCN(CC4=CC5CCCC(C4)N5C(C)=O)CC3)nc2c1 |w:22.22,18.17,t:16,TLB:25:24:16.23.17:19.21.20|
Show InChI InChI=1S/C26H33FN4O2/c1-17(32)31-20-4-3-5-21(31)13-18(12-20)16-30-10-8-19(9-11-30)28-26-7-6-23-24(27)14-22(33-2)15-25(23)29-26/h6-7,12,14-15,19-21H,3-5,8-11,13,16H2,1-2H3,(H,28,29)
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20n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50372002
PNG
(CHEMBL256188)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3cc(ccc3n1)C(F)(F)F)C2 |w:4.37,8.9,t:10,TLB:1:3:10.33.9:7.5.6|
Show InChI InChI=1S/C26H31F3N4O/c1-17(34)33-22-3-2-4-23(33)14-18(13-22)16-32-11-9-21(10-12-32)30-25-8-5-19-15-20(26(27,28)29)6-7-24(19)31-25/h5-8,13,15,21-23H,2-4,9-12,14,16H2,1H3,(H,30,31)
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21n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300371
PNG
(US10130619, Example 51)
Show SMILES C[C@H](Oc1ncc(cc1NCCN(C)C)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
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21n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM289784
PNG
() | US10130619, Example 7)
Show SMILES COc1cc(ccc1O[C@@H](CO)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
KEGG

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22n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300411
PNG
(US10130619, Example 158)
Show SMILES COc1cc(ccc1OC1Cc2ccccc2C1)C(=O)Nc1nnc(s1)-c1ccncc1
KEGG

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22n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300396
PNG
(US10130619, Example 106)
Show SMILES COc1cc(ccc1O[C@@H](CN(C)C)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1F |r|
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22n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50372001
PNG
(CHEMBL257018)
Show SMILES CC(C)Oc1cc(F)c2ccc(NC3CCN(CC4=CC5CCCC(C4)N5C(C)=O)CC3)nc2c1 |w:24.24,20.19,t:18,TLB:27:26:18.25.19:21.23.22|
Show InChI InChI=1S/C28H37FN4O2/c1-18(2)35-24-15-26(29)25-7-8-28(31-27(25)16-24)30-21-9-11-32(12-10-21)17-20-13-22-5-4-6-23(14-20)33(22)19(3)34/h7-8,13,15-16,18,21-23H,4-6,9-12,14,17H2,1-3H3,(H,30,31)
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24n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300422
PNG
(US10130619, Example 197)
Show SMILES COc1cc(ccc1O[C@@H](CO)c1ccc(F)cc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
KEGG

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24n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300423
PNG
(US10130619, Example 198)
Show SMILES COc1cc(ccc1O[C@@H](CN(C)C)c1ccc(F)cc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
KEGG

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25n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50372010
PNG
(CHEMBL402245)
Show SMILES CC(C)Oc1ccc2ccc(NC3CCN(CC4=CC5CCCC(C4)N5C(C)=O)CC3)nc2c1 |w:23.23,19.18,t:17,TLB:26:25:17.24.18:20.22.21|
Show InChI InChI=1S/C28H38N4O2/c1-19(2)34-26-9-7-22-8-10-28(30-27(22)17-26)29-23-11-13-31(14-12-23)18-21-15-24-5-4-6-25(16-21)32(24)20(3)33/h7-10,15,17,19,23-25H,4-6,11-14,16,18H2,1-3H3,(H,29,30)
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25n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50372013
PNG
(CHEMBL256190)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3cc(Cl)ccc3n1)C2 |w:4.34,8.9,t:10,TLB:1:3:10.30.9:7.5.6|
Show InChI InChI=1S/C25H31ClN4O/c1-17(31)30-22-3-2-4-23(30)14-18(13-22)16-29-11-9-21(10-12-29)27-25-8-5-19-15-20(26)6-7-24(19)28-25/h5-8,13,15,21-23H,2-4,9-12,14,16H2,1H3,(H,27,28)
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26n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300381
PNG
(US10130619, Example 80)
Show SMILES COc1cc(ccc1O[C@@H]1CCc2ccccc12)C(=O)Nc1nnc(s1)-c1ccncc1 |r,$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
KEGG

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27n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM299743
PNG
() | US10130619, Example 9)
Show SMILES COc1cc(ccc1O[C@@H](CCN1CCCC1)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
KEGG

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29n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300374
PNG
(US10130619, Example 63)
Show SMILES C[C@H](Oc1ncc(cc1NCCCN(C)C)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
KEGG

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31n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300389
PNG
(US10130619, Example 92)
Show SMILES COc1ccc(COc2ccc(cc2OC)C(=O)Nc2nnc(s2)-c2ccncc2)cc1
KEGG

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32n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300417
PNG
(US10130619, Example 180)
Show SMILES COc1ccc(CCCOc2ccc(cn2)C(=O)Nc2nnc(s2)-c2ccncc2)cc1
KEGG

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32n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300409
PNG
(US10130619, Example 154)
Show SMILES COc1cc(ccc1OC(C1CC1)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1
KEGG

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33n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300403
PNG
(US10130619, Example 121)
Show SMILES COc1cc(ccc1Cn1ccc2ccccc12)C(=O)Nc1nnc(s1)-c1ccncc1
KEGG

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35n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300370
PNG
(US10130619, Example 46)
Show SMILES COc1cc(cnc1O[C@@H](C)c1ccccn1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
KEGG

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35n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300399
PNG
(US10130619, Example 114)
Show SMILES COc1cc(cnc1O[C@@H](CN(C)C)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncn1 |r|
KEGG

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37n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300384
PNG
(US10130619, Example 85)
Show SMILES CC(Oc1ccc(cc1OCCN(C)C)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
KEGG

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37n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300418
PNG
(US10130619, Example 182)
Show SMILES Cc1cc(cnc1O[C@@H](CN1CCOCC1)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
KEGG

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37n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300382
PNG
(US10130619, Example 82)
Show SMILES COc1cc(ccc1OC1CCCc2ccccc12)C(=O)Nc1nnc(s1)-c1ccncc1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
KEGG

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38n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300408
PNG
(US10130619, Example 152)
Show SMILES COc1cc(ccc1OC1COc2ccccc12)C(=O)Nc1nnc(s1)-c1ccncc1
KEGG

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38n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300365
PNG
() | US10130619, Example 37)
Show SMILES C[C@H](Oc1ncc(cc1OCC1CCOCC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
KEGG

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38n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300364
PNG
() | US10130619, Example 34)
Show SMILES CC(Cc1ccccc1)Oc1ccc(cn1)C(=O)Nc1nnc(s1)-c1ccncc1
KEGG

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45n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300401
PNG
(US10130619, Example 116)
Show SMILES COc1cc(ccc1O[C@@H](C)Cc1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
KEGG

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46n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300424
PNG
(US10130619, Example 199)
Show SMILES COc1cc(ccc1O[C@H](CO)c1ccc(F)cc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
KEGG

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47n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300405
PNG
(US10130619, Example 136)
Show SMILES O=C(Nc1nnc(s1)-c1ccncc1)c1ccc(OC2CCc3ccccc23)nc1
KEGG

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47n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300359
PNG
() | US10130619, Example 10)
Show SMILES COc1cc(ccc1O[C@@H](CN1CCCC1)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
KEGG

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49n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300375
PNG
(US10130619, Example 65)
Show SMILES C[C@H](Oc1ncc(cc1NCCO)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
KEGG

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51n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300390
PNG
(US10130619, Example 93)
Show SMILES COc1cc(ccc1OCc1ccccc1F)C(=O)Nc1nnc(s1)-c1ccncc1
KEGG

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52n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300419
PNG
(US10130619, Example 183)
Show SMILES COCC(Oc1ccc(cc1OC)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
KEGG

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55n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent




US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair
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