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Compile Data Set for Download or QSAR

Found 222 hits with Last Name = 'raphy' and Initial = 'g'   
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))
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))
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))
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
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
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
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
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
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50372004
PNG
(CHEMBL258272)
Show SMILES CN(C1CCN(CC2=CC3CCCC(C2)N3C(C)=O)CC1)c1nc2ccccc2s1 |w:13.13,9.8,t:7,TLB:16:15:7.14.8:10.12.11|
Show InChI InChI=1S/C24H32N4OS/c1-17(29)28-20-6-5-7-21(28)15-18(14-20)16-27-12-10-19(11-13-27)26(2)24-25-22-8-3-4-9-23(22)30-24/h3-4,8-9,14,19-21H,5-7,10-13,15-16H2,1-2H3
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95n/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))
BDBM50225711
PNG
(CHEMBL437776 | N-(1-(((1R,5S)-6,6-dimethylbicyclo[...)
Show SMILES CN(C1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1)c1nc2ccccc2s1 |t:7|
Show InChI InChI=1S/C23H31N3S/c1-23(2)17-9-8-16(19(23)14-17)15-26-12-10-18(11-13-26)25(3)22-24-20-6-4-5-7-21(20)27-22/h4-8,17-19H,9-15H2,1-3H3/t17-,19-/m0/s1
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126n/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))
BDBM50372016
PNG
(CHEMBL402044)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3ccccc3n1)C2 |w:4.33,8.9,t:10,TLB:1:3:10.29.9:7.5.6|
Show InChI InChI=1S/C25H32N4O/c1-18(30)29-22-6-4-7-23(29)16-19(15-22)17-28-13-11-21(12-14-28)26-25-10-9-20-5-2-3-8-24(20)27-25/h2-3,5,8-10,15,21-23H,4,6-7,11-14,16-17H2,1H3,(H,26,27)
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135n/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))
BDBM50372014
PNG
(CHEMBL270805)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1cnc3ccccc3n1)C2 |w:4.33,8.9,t:10,TLB:1:3:10.29.9:7.5.6|
Show InChI InChI=1S/C24H31N5O/c1-17(30)29-20-5-4-6-21(29)14-18(13-20)16-28-11-9-19(10-12-28)26-24-15-25-22-7-2-3-8-23(22)27-24/h2-3,7-8,13,15,19-21H,4-6,9-12,14,16H2,1H3,(H,26,27)
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143n/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))
BDBM50372003
PNG
(CHEMBL272707)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3cccc(Cl)c3n1)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)30-21-5-3-6-22(30)15-18(14-21)16-29-12-10-20(11-13-29)27-24-9-8-19-4-2-7-23(26)25(19)28-24/h2,4,7-9,14,20-22H,3,5-6,10-13,15-16H2,1H3,(H,27,28)
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624n/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
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272075
PNG
((S)-1-(2,6-Difluorophenyl)-5-(3-fluoro-2- methylph...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1c(F)cccc1F)C(=O)NO |r,wU:8.27,(-1.7,-2.72,;-.37,-3.49,;-.37,-5.03,;-1.7,-5.8,;.96,-5.8,;2.3,-5.03,;2.3,-3.49,;.96,-2.72,;.96,-1.18,;-.28,-2.09,;-1.53,-1.18,;-3.07,-1.18,;-3.54,.28,;-2.3,1.18,;-1.05,.28,;.49,.28,;-2.3,2.72,;-3.63,3.49,;-4.97,2.72,;-3.63,5.03,;-2.3,5.8,;-.96,5.03,;-.96,3.49,;.37,2.72,;2.3,-.41,;2.3,1.13,;3.63,-1.18,;4.97,-.41,)|
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n/an/a 12n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272078
PNG
((S)-1-(2-Chloro-6-fluorophenyl)-5-(3-fluoro-2- met...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1c(F)cccc1Cl)C(=O)NO |r,wD:8.8,(-.17,-3.49,;1.37,-3.49,;2.14,-4.83,;1.37,-6.16,;3.68,-4.83,;4.45,-3.49,;3.68,-2.16,;2.14,-2.16,;1.37,-.83,;.12,-1.73,;-1.13,-.83,;-2.67,-.83,;-3.14,.64,;-1.9,1.54,;-.65,.64,;.89,.64,;-1.9,3.08,;-.56,3.85,;.77,3.08,;-.56,5.39,;-1.9,6.16,;-3.23,5.39,;-3.23,3.85,;-4.56,3.08,;2.77,-.2,;4.02,-1.11,;2.93,1.33,;4.56,2.27,)|
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n/an/a 15n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272071
PNG
((S)-1-(2-Chlorophenyl)-5-(3-fluoro-2-methylphenyl)...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1Cl)C(=O)NO |r|
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n/an/a 15n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272067
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-l-(2-fluorophenyl)...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1F)C(=O)NO |r|
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n/an/a 17n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272074
PNG
((S)-1-(3-Chloro-2-fluorophenyl)-5-(3-fluoro-2- met...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1cccc(Cl)c1F)C(=O)NO |r|
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n/an/a 17n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272079
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-1-(2-fluoro-6- met...)
Show SMILES Cc1cccc(F)c1-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r,wD:13.22,(-4.97,2.72,;-3.63,3.49,;-3.63,5.03,;-2.3,5.8,;-.96,5.03,;-.96,3.49,;.37,2.72,;-2.3,2.72,;-2.3,1.18,;-3.54,.28,;-3.07,-1.18,;-1.53,-1.18,;-.28,-2.09,;.96,-1.18,;.49,.28,;-1.05,.28,;2.3,-.41,;2.3,1.13,;3.63,-1.18,;4.97,-.41,;.96,-2.72,;2.3,-3.49,;2.3,-5.03,;.96,-5.8,;-.37,-5.03,;-1.7,-5.8,;-.37,-3.49,;-1.7,-2.72,)|
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n/an/a 19n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272076
PNG
((S)-1-(2,5-Dimethylphenyl)-5-(3-fluoro-2- methylph...)
Show SMILES Cc1ccc(C)c(c1)-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r|
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n/an/a 21n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272066
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-l-(o- to...)
Show SMILES Cc1ccccc1-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r|
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n/an/a 23n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272158
PNG
((R)-1-Benzyl-4-(3-fluoro-2-methylphenyl)-N-hydroxy...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCc2c1cnn2Cc1ccccc1)C(=O)NO |r|
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n/an/a 27n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272077
PNG
((S)-1-(2,6-Dimethylphenyl)-5-(3-fluoro-2- methylph...)
Show SMILES Cc1cccc(C)c1-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r,wD:13.22,(-4.97,2.72,;-3.63,3.49,;-3.63,5.03,;-2.3,5.8,;-.96,5.03,;-.96,3.49,;.37,2.72,;-2.3,2.72,;-2.3,1.18,;-3.54,.28,;-3.07,-1.18,;-1.53,-1.18,;-.28,-2.09,;.96,-1.18,;.49,.28,;-1.05,.28,;2.3,-.41,;2.3,1.13,;3.63,-1.18,;4.97,-.41,;.96,-2.72,;2.3,-3.49,;2.3,-5.03,;.96,-5.8,;-.37,-5.03,;-1.7,-5.8,;-.37,-3.49,;-1.7,-2.72,)|
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n/an/a 27n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272065
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-1-phenyl...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1)C(=O)NO |r|
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n/an/a 28n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272088
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-1-(m- to...)
Show SMILES Cc1cccc(c1)-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r|
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n/an/a 28n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272081
PNG
((S)-1-(2,4-Difluorophenyl)-5-(3-fluoro-2- methylph...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccc(F)cc1F)C(=O)NO |r|
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n/an/a 29n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272080
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-1-(5-fluoropyridin...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccc(F)cn1)C(=O)NO |r|
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n/an/a 31n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272155
PNG
((S)-1-(2-Chloro-4-fluorophenyl)-5-(3-fluoro-2- met...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccc(F)cc1Cl)C(=O)NO |r|
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n/an/a 36n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272082
PNG
((S)-1-Cyclopentyl-5-(3-fluoro-2-methylphenyl)-N- h...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(C3CCCC3)c2C1)C(=O)NO |r|
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n/an/a 37n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272083
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-1- (pyra...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1cnccn1)C(=O)NO |r|
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n/an/a 38n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272073
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-1-(p- to...)
Show SMILES Cc1ccc(cc1)-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r|
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n/an/a 39n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM344295
PNG
((1R*,3S*)-1-(3-Fluoro-2- methylphenyl)-N-hydroxy- ...)
Show SMILES Cc1c(F)cccc1[C@]1(CC[C@@H](C1)c1ccccc1)C(=O)NO |r|
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n/an/a 40n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US9783488 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272133
PNG
((R)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-2-(1- me...)
Show SMILES Cc1c(F)cccc1[C@]1(Cc2nc(sc2C1)-c1ccnn1C)C(=O)NO |r|
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n/an/a 44n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272070
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-1-(3-fluorophenyl)...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1cccc(F)c1)C(=O)NO |r|
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n/an/a 44n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272086
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-1-(4-fluoro-2- met...)
Show SMILES Cc1cc(F)ccc1-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r|
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n/an/a 44n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM344365
PNG
((1S,3S*)-3-(1- (Difluoromethyl)-1H- indazol-6-yl)-...)
Show SMILES Cc1c(F)cccc1[C@@]1(CC[C@@H](C1)c1ccc2cnn(C(F)F)c2c1)C(=O)NO |r|
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n/an/a 46n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US9783488 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272122
PNG
((S)-1-Cyclopropyl-5-(3-fluoro-2-methylphenyl)-N- h...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(C3CC3)c2C1)C(=O)NO |r|
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n/an/a 48n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM345231
PNG
((1S,3S*)-1-(3-Fluoro-2- methylphenyl)-N-hydroxy- 3...)
Show SMILES Cc1c(F)cccc1[C@@]1(CC[C@@H](C1)c1ccc2ncccc2c1)C(=O)NO |r|
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n/an/a 48n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US9783488 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272157
PNG
((S)-1-Benzyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(Cc3ccccc3)c2C1)C(=O)NO |r|
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n/an/a 48n/an/an/an/an/an/a



CHDI Foundation, Inc.

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US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM344298
PNG
((1R*,3R*)-1-(3-Fluoro-2- methylphenyl)-N-hydroxy- ...)
Show SMILES Cc1c(F)cccc1[C@]1(CC[C@H](C1)c1ccccc1)C(=O)NO |r|
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MMDB

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UniChem
US Patent
n/an/a 50n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US9783488 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272154
PNG
((R)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-2-(5- fl...)
Show SMILES Cc1c(F)cccc1[C@]1(Cc2nc(sc2C1)-c1ccc(F)cn1)C(=O)NO |r|
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n/an/a 51n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272143
PNG
((R)-5-(3-Fluoro-2-methylphenyl)-3-(4-fluorophenyl)...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2nn(C)c(c2C1)-c1ccc(F)cc1)C(=O)NO |r|
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UniProtKB/SwissProt

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US Patent
n/an/a 53n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272091
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-2-(3- me...)
Show SMILES Cc1cnccc1-n1cc2C[C@@](Cc2n1)(C(=O)NO)c1cccc(F)c1C |r|
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UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
n/an/a 53n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272069
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-1-(4-fluorophenyl)...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccc(F)cc1)C(=O)NO |r|
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UniProtKB/SwissProt

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antibodypedia
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PC cid
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UniChem
US Patent
n/an/a 53n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
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