Found 89 hits of affinity data for UniProtKB/TrEMBL: O88410 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50227864
(1-(1-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)...)Show SMILES CC(C)Oc1cc(F)cc(NC(=O)NC2CCN(CC3=CC4CCCC(C3)N4C(C)=O)CC2)c1 |w:25.25,21.20,t:19,TLB:28:27:19.26.20:22.24.23| Show InChI InChI=1S/C26H37FN4O3/c1-17(2)34-25-14-20(27)13-22(15-25)29-26(33)28-21-7-9-30(10-8-21)16-19-11-23-5-4-6-24(12-19)31(23)18(3)32/h11,13-15,17,21,23-24H,4-10,12,16H2,1-3H3,(H2,28,29,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 18: 147-51 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50227866
(1-(8-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)...)Show SMILES CC(=O)N1C2CCCC1C=C(CN1C3CCC1CC(C3)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2 |w:4.39,8.9,18.22,13.14,16.16,t:10,TLB:1:3:10.35.9:7.5.6,TEB:20:18:12:14.15| Show InChI InChI=1S/C26H32F4N4O2/c1-15(35)34-23-3-2-4-24(34)8-16(7-23)14-33-21-5-6-22(33)13-20(12-21)32-25(36)31-19-10-17(26(28,29)30)9-18(27)11-19/h7,9-11,20-24H,2-6,8,12-14H2,1H3,(H2,31,32,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 18: 147-51 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50227867
(1-(1-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)...)Show SMILES CC(C)Oc1cccc(NC(=O)NC2CCN(CC3=CC4CCCC(C3)N4C(C)=O)CC2)c1 |w:24.24,20.19,t:18,TLB:27:26:18.25.19:21.23.22| Show InChI InChI=1S/C26H38N4O3/c1-18(2)33-25-9-4-6-22(16-25)28-26(32)27-21-10-12-29(13-11-21)17-20-14-23-7-5-8-24(15-20)30(23)19(3)31/h4,6,9,14,16,18,21,23-24H,5,7-8,10-13,15,17H2,1-3H3,(H2,27,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 18: 147-51 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50227863
(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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 18: 147-51 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50227861
(1-(3-fluoro-5-(trifluoromethyl)phenyl)-3-(1-((9-pi...)Show SMILES CC(C)(C)C(=O)N1C2CCCC1C=C(CN1CCC(CC1)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2 |w:7.39,11.12,t:13,TLB:4:6:13.36.12:10.8.9| Show InChI InChI=1S/C27H36F4N4O2/c1-26(2,3)24(36)35-22-5-4-6-23(35)12-17(11-22)16-34-9-7-20(8-10-34)32-25(37)33-21-14-18(27(29,30)31)13-19(28)15-21/h11,13-15,20,22-23H,4-10,12,16H2,1-3H3,(H2,32,33,37) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 18: 147-51 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50227862
(1-(1-((8-(cyclopropanecarbonyl)-8-aza-bicyclo[3.2....)Show SMILES Fc1cc(NC(=O)NC2CCN(CC3=CC4CCC(C3)N4C(=O)C3CC3)CC2)cc(c1)C(F)(F)F |w:18.18,15.14,t:13| Show InChI InChI=1S/C25H30F4N4O2/c26-18-11-17(25(27,28)29)12-20(13-18)31-24(35)30-19-5-7-32(8-6-19)14-15-9-21-3-4-22(10-15)33(21)23(34)16-1-2-16/h9,11-13,16,19,21-22H,1-8,10,14H2,(H2,30,31,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 18: 147-51 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50227865
(1-(3-fluoro-5-(trifluoromethyl)phenyl)-3-(1-((8-pi...)Show SMILES CC(C)(C)C(=O)N1C2CCC1C=C(CN1CCC(CC1)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2 |w:7.38,10.11,t:12| Show InChI InChI=1S/C26H34F4N4O2/c1-25(2,3)23(35)34-21-4-5-22(34)11-16(10-21)15-33-8-6-19(7-9-33)31-24(36)32-20-13-17(26(28,29)30)12-18(27)14-20/h10,12-14,19,21-22H,4-9,11,15H2,1-3H3,(H2,31,32,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 18: 147-51 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50227869
(1-[1-(8-acetyl-8-aza-bicyclo[3.2.1]oct-2-en-3-ylme...)Show SMILES CC(=O)N1C2CCC1C=C(CN1CCC(CC1)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2 |w:4.35,7.8,t:9| Show InChI InChI=1S/C23H28F4N4O2/c1-14(32)31-20-2-3-21(31)9-15(8-20)13-30-6-4-18(5-7-30)28-22(33)29-19-11-16(23(25,26)27)10-17(24)12-19/h8,10-12,18,20-21H,2-7,9,13H2,1H3,(H2,28,29,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 18: 147-51 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50227873
(1-(3-fluoro-5-(trifluoromethyl)phenyl)-3-(1-((8-is...)Show SMILES CC(C)C(=O)N1C2CCC1C=C(CN1CCC(CC1)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2 |w:6.37,9.10,t:11| Show InChI InChI=1S/C25H32F4N4O2/c1-15(2)23(34)33-21-3-4-22(33)10-16(9-21)14-32-7-5-19(6-8-32)30-24(35)31-20-12-17(25(27,28)29)11-18(26)13-20/h9,11-13,15,19,21-22H,3-8,10,14H2,1-2H3,(H2,30,31,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 18: 147-51 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50198394
((E)-1-(1-(cyclooctenylmethyl)piperidin-4-yl)-3-(na...)Show SMILES O=C(NC1CCN(C\C2=C\CCCCCC2)CC1)Nc1ccc2ccccc2c1 |t:8| Show InChI InChI=1S/C25H33N3O/c29-25(27-24-13-12-21-10-6-7-11-22(21)18-24)26-23-14-16-28(17-15-23)19-20-8-4-2-1-3-5-9-20/h6-8,10-13,18,23H,1-5,9,14-17,19H2,(H2,26,27,29)/b20-8+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 18: 147-51 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50198392
(1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-(((1R,5S)-...)Show SMILES CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)NC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=CC2 |c:34| Show InChI InChI=1S/C24H29F6N3O/c1-22(2)15-4-3-14(20(22)12-15)13-33-7-5-18(6-8-33)31-21(34)32-19-10-16(23(25,26)27)9-17(11-19)24(28,29)30/h3,9-11,15,18,20H,4-8,12-13H2,1-2H3,(H2,31,32,34)/t15-,20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 18: 147-51 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50198394
((E)-1-(1-(cyclooctenylmethyl)piperidin-4-yl)-3-(na...)Show SMILES O=C(NC1CCN(C\C2=C\CCCCCC2)CC1)Nc1ccc2ccccc2c1 |t:8| Show InChI InChI=1S/C25H33N3O/c29-25(27-24-13-12-21-10-6-7-11-22(21)18-24)26-23-14-16-28(17-15-23)19-20-8-4-2-1-3-5-9-20/h6-8,10-13,18,23H,1-5,9,14-17,19H2,(H2,26,27,29)/b20-8+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 17: 697-701 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.088 BindingDB Entry DOI: 10.7270/Q2833RPB |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50227871
(1-(1-((8-acetyl-8-aza-bicyclo[3.2.1]octan-3-yl)met...)Show SMILES CC(=O)N1C2CCC1CC(CN1CCC(CC1)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2 |w:9.10,7.8,4.35,TLB:1:3:9.8.32:5.6,TEB:10:9:5.6:3| Show InChI InChI=1S/C23H30F4N4O2/c1-14(32)31-20-2-3-21(31)9-15(8-20)13-30-6-4-18(5-7-30)28-22(33)29-19-11-16(23(25,26)27)10-17(24)12-19/h10-12,15,18,20-21H,2-9,13H2,1H3,(H2,28,29,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 18: 147-51 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50227874
(3-{4-[3-(3-fluoro-5-trifluoromethyl-phenyl)-ureido...)Show SMILES CCOC(=O)N1C2CCC1C=C(CN1CCC(CC1)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2 |w:6.37,9.10,t:11| Show InChI InChI=1S/C24H30F4N4O3/c1-2-35-23(34)32-20-3-4-21(32)10-15(9-20)14-31-7-5-18(6-8-31)29-22(33)30-19-12-16(24(26,27)28)11-17(25)13-19/h9,11-13,18,20-21H,2-8,10,14H2,1H3,(H2,29,30,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 18: 147-51 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50337250
((S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-y...)Show SMILES CCNC(=O)c1cnc(N2CCN([C@@H](CC)C2)C2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C26H35Cl2N5O/c1-3-22-18-32(25-24(28)15-20(16-30-25)26(34)29-4-2)13-14-33(22)23-9-11-31(12-10-23)17-19-5-7-21(27)8-6-19/h5-8,15-16,22-23H,3-4,9-14,17-18H2,1-2H3,(H,29,34)/t22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 21: 1527-31 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.114 BindingDB Entry DOI: 10.7270/Q2CZ37FJ |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50337251
((S)-5-chloro-6-(4-(1-(4-chloro-2-fluorobenzyl)pipe...)Show SMILES CCNC(=O)c1cnc(N2CCN([C@@H](CC)C2)C2CCN(Cc3ccc(Cl)cc3F)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C26H34Cl2FN5O/c1-3-21-17-33(25-23(28)13-19(15-31-25)26(35)30-4-2)11-12-34(21)22-7-9-32(10-8-22)16-18-5-6-20(27)14-24(18)29/h5-6,13-15,21-22H,3-4,7-12,16-17H2,1-2H3,(H,30,35)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 21: 1527-31 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.114 BindingDB Entry DOI: 10.7270/Q2CZ37FJ |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM610439
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| MCE PC cid PC sid UniChem
| | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50595484
(CHEMBL5202301)Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00675 BindingDB Entry DOI: 10.7270/Q29K4G85 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349656
(CHEMBL1809016)Show SMILES Fc1cccc(NC(=O)N2C[C@@H](C=C3[C@H]2Cc2c[nH]c4cccc3c24)C(=O)N2CCCC2)c1 |r,c:12| Show InChI InChI=1S/C26H25FN4O2/c27-18-5-3-6-19(13-18)29-26(33)31-15-17(25(32)30-9-1-2-10-30)11-21-20-7-4-8-22-24(20)16(14-28-22)12-23(21)31/h3-8,11,13-14,17,23,28H,1-2,9-10,12,15H2,(H,29,33)/t17-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349674
(CHEMBL1809040)Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1cn(CCN3CCCC3)c3cccc2c13)C(=O)N1CCCC1 |r,c:13| Show InChI InChI=1S/C32H37N5O2/c38-31(35-15-6-7-16-35)24-19-27-26-11-8-12-28-30(26)23(21-36(28)18-17-34-13-4-5-14-34)20-29(27)37(22-24)32(39)33-25-9-2-1-3-10-25/h1-3,8-12,19,21,24,29H,4-7,13-18,20,22H2,(H,33,39)/t24-,29-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349644
(CHEMBL1809003)Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC=C1 |r,c:13,36| Show InChI InChI=1S/C27H26N4O2/c32-26(30-12-5-2-6-13-30)19-14-22-21-10-7-11-23-25(21)18(16-28-23)15-24(22)31(17-19)27(33)29-20-8-3-1-4-9-20/h1,3-5,7-12,14,16,19,24,28H,2,6,13,15,17H2,(H,29,33)/t19-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349673
(CHEMBL1809039)Show SMILES CN(C)CCn1cc2C[C@H]3N(C[C@@H](C=C3c3cccc1c23)C(=O)N1CCCC1)C(=O)Nc1ccccc1 |r,c:13| Show InChI InChI=1S/C30H35N5O2/c1-32(2)15-16-34-19-21-18-27-25(24-11-8-12-26(34)28(21)24)17-22(29(36)33-13-6-7-14-33)20-35(27)30(37)31-23-9-4-3-5-10-23/h3-5,8-12,17,19,22,27H,6-7,13-16,18,20H2,1-2H3,(H,31,37)/t22-,27-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349675
(CHEMBL1809041)Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1cn(CCN3CCCCC3)c3cccc2c13)C(=O)N1CCCC1 |r,c:13| Show InChI InChI=1S/C33H39N5O2/c39-32(36-16-7-8-17-36)25-20-28-27-12-9-13-29-31(27)24(22-37(29)19-18-35-14-5-2-6-15-35)21-30(28)38(23-25)33(40)34-26-10-3-1-4-11-26/h1,3-4,9-13,20,22,25,30H,2,5-8,14-19,21,23H2,(H,34,40)/t25-,30-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349676
(CHEMBL1809042)Show SMILES CN1CCN(CCn2cc3C[C@H]4N(C[C@@H](C=C4c4cccc2c34)C(=O)N2CCCC2)C(=O)Nc2ccccc2)CC1 |r,c:15| Show InChI InChI=1S/C33H40N6O2/c1-35-14-16-36(17-15-35)18-19-38-22-24-21-30-28(27-10-7-11-29(38)31(24)27)20-25(32(40)37-12-5-6-13-37)23-39(30)33(41)34-26-8-3-2-4-9-26/h2-4,7-11,20,22,25,30H,5-6,12-19,21,23H2,1H3,(H,34,41)/t25-,30-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50310487
((R)-N-(2-(ethylsulfonyl)ethyl)-2-(4-fluoro-3-(trif...)Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H27F7N4O5S/c1-3-47(44,45)14-13-40(25(42)16-19-6-11-24(31)23(15-19)30(35,36)37)18(2)27-39-26-22(5-4-12-38-26)28(43)41(27)20-7-9-21(10-8-20)46-17-29(32,33)34/h4-12,15,18H,3,13-14,16-17H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]-IP10 from mouse CXCR3 expressed in human PBMC after 2 hrs in RPMI buffer by scintillation counting |
Bioorg Med Chem Lett 19: 5114-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.032 BindingDB Entry DOI: 10.7270/Q2FX79KZ |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349643
(CHEMBL1809002)Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CC=CC1 |r,c:13,34| Show InChI InChI=1S/C26H24N4O2/c31-25(29-11-4-5-12-29)18-13-21-20-9-6-10-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-7-2-1-3-8-19/h1-10,13,15,18,23,27H,11-12,14,16H2,(H,28,32)/t18-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349678
(CHEMBL1806523)Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:13| Show InChI InChI=1S/C26H26N4O2/c31-25(29-11-4-5-12-29)18-13-21-20-9-6-10-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-7-2-1-3-8-19/h1-3,6-10,13,15,18,23,27H,4-5,11-12,14,16H2,(H,28,32)/t18-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349672
(CHEMBL1809038)Show SMILES OCCn1cc2C[C@H]3N(C[C@@H](C=C3c3cccc1c23)C(=O)N1CCCC1)C(=O)Nc1ccccc1 |r,c:11| Show InChI InChI=1S/C28H30N4O3/c33-14-13-31-17-19-16-25-23(22-9-6-10-24(31)26(19)22)15-20(27(34)30-11-4-5-12-30)18-32(25)28(35)29-21-7-2-1-3-8-21/h1-3,6-10,15,17,20,25,33H,4-5,11-14,16,18H2,(H,29,35)/t20-,25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349657
(CHEMBL1809017)Show SMILES Fc1ccc(NC(=O)N2C[C@@H](C=C3[C@H]2Cc2c[nH]c4cccc3c24)C(=O)N2CCCC2)cc1 |r,c:11| Show InChI InChI=1S/C26H25FN4O2/c27-18-6-8-19(9-7-18)29-26(33)31-15-17(25(32)30-10-1-2-11-30)12-21-20-4-3-5-22-24(20)16(14-28-22)13-23(21)31/h3-9,12,14,17,23,28H,1-2,10-11,13,15H2,(H,29,33)/t17-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM610439
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| MCE PC cid PC sid UniChem
| | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349677
(CHEMBL1809043)Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1cn(CCN3CCOCC3)c3cccc2c13)C(=O)N1CCCC1 |r,c:13| Show InChI InChI=1S/C32H37N5O3/c38-31(35-11-4-5-12-35)24-19-27-26-9-6-10-28-30(26)23(21-36(28)14-13-34-15-17-40-18-16-34)20-29(27)37(22-24)32(39)33-25-7-2-1-3-8-25/h1-3,6-10,19,21,24,29H,4-5,11-18,20,22H2,(H,33,39)/t24-,29-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349679
(CHEMBL1809000)Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCCC1 |r,c:13| Show InChI InChI=1S/C27H28N4O2/c32-26(30-12-5-2-6-13-30)19-14-22-21-10-7-11-23-25(21)18(16-28-23)15-24(22)31(17-19)27(33)29-20-8-3-1-4-9-20/h1,3-4,7-11,14,16,19,24,28H,2,5-6,12-13,15,17H2,(H,29,33)/t19-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50337218
((S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-y...)Show SMILES C[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1ncc(cc1Cl)C(=O)NCc1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C30H33Cl2F2N5O/c1-20-18-38(12-13-39(20)25-8-10-37(11-9-25)19-21-2-5-24(31)6-3-21)29-26(32)15-23(17-35-29)30(40)36-16-22-4-7-27(33)28(34)14-22/h2-7,14-15,17,20,25H,8-13,16,18-19H2,1H3,(H,36,40)/t20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 |
Bioorg Med Chem Lett 21: 1527-31 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.114 BindingDB Entry DOI: 10.7270/Q2CZ37FJ |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349652
(CHEMBL1809011)Show SMILES OC1CCN(CC1)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:24| Show InChI InChI=1S/C27H28N4O3/c32-20-9-11-30(12-10-20)26(33)18-13-22-21-7-4-8-23-25(21)17(15-28-23)14-24(22)31(16-18)27(34)29-19-5-2-1-3-6-19/h1-8,13,15,18,20,24,28,32H,9-12,14,16H2,(H,29,34)/t18-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349640
(CHEMBL1808998)Show SMILES CN(CCO)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:21| Show InChI InChI=1S/C25H26N4O3/c1-28(10-11-30)24(31)17-12-20-19-8-5-9-21-23(19)16(14-26-21)13-22(20)29(15-17)25(32)27-18-6-3-2-4-7-18/h2-9,12,14,17,22,26,30H,10-11,13,15H2,1H3,(H,27,32)/t17-,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349661
(CHEMBL1809025)Show SMILES O=C(Nc1cccs1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:12| Show InChI InChI=1S/C24H24N4O2S/c29-23(27-8-1-2-9-27)16-11-18-17-5-3-6-19-22(17)15(13-25-19)12-20(18)28(14-16)24(30)26-21-7-4-10-31-21/h3-7,10-11,13,16,20,25H,1-2,8-9,12,14H2,(H,26,30)/t16-,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349638
(CHEMBL1808996)Show SMILES CN(C)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:19| Show InChI InChI=1S/C24H24N4O2/c1-27(2)23(29)16-11-19-18-9-6-10-20-22(18)15(13-25-20)12-21(19)28(14-16)24(30)26-17-7-4-3-5-8-17/h3-11,13,16,21,25H,12,14H2,1-2H3,(H,26,30)/t16-,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349660
(CHEMBL1809024)Show SMILES O=C(Nc1ccsc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:12| Show InChI InChI=1S/C24H24N4O2S/c29-23(27-7-1-2-8-27)16-10-19-18-4-3-5-20-22(18)15(12-25-20)11-21(19)28(13-16)24(30)26-17-6-9-31-14-17/h3-6,9-10,12,14,16,21,25H,1-2,7-8,11,13H2,(H,26,30)/t16-,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM610439
(1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...)Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| MCE PC cid PC sid UniChem
| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349649
(CHEMBL1809008)Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCOCC1 |r,c:13| Show InChI InChI=1S/C26H26N4O3/c31-25(29-9-11-33-12-10-29)18-13-21-20-7-4-8-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-5-2-1-3-6-19/h1-8,13,15,18,23,27H,9-12,14,16H2,(H,28,32)/t18-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50300905
(CHEMBL578192 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r| Show InChI InChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-26(27(34)16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of ITAC from CXCR3 receptor in mouse whole blood assay |
Bioorg Med Chem Lett 19: 5200-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349642
(CHEMBL1809001)Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCCCC1 |r,c:13| Show InChI InChI=1S/C28H30N4O2/c33-27(31-13-6-1-2-7-14-31)20-15-23-22-11-8-12-24-26(22)19(17-29-24)16-25(23)32(18-20)28(34)30-21-9-4-3-5-10-21/h3-5,8-12,15,17,20,25,29H,1-2,6-7,13-14,16,18H2,(H,30,34)/t20-,25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349641
(CHEMBL1808999)Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCC1 |r,c:13| Show InChI InChI=1S/C25H24N4O2/c30-24(28-10-5-11-28)17-12-20-19-8-4-9-21-23(19)16(14-26-21)13-22(20)29(15-17)25(31)27-18-6-2-1-3-7-18/h1-4,6-9,12,14,17,22,26H,5,10-11,13,15H2,(H,27,31)/t17-,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349664
(CHEMBL1809029)Show SMILES O=C(NC1CCCCCC1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:14| Show InChI InChI=1S/C27H34N4O2/c32-26(30-12-5-6-13-30)19-14-22-21-10-7-11-23-25(21)18(16-28-23)15-24(22)31(17-19)27(33)29-20-8-3-1-2-4-9-20/h7,10-11,14,16,19-20,24,28H,1-6,8-9,12-13,15,17H2,(H,29,33)/t19-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349655
(CHEMBL1809015)Show SMILES Fc1ccccc1NC(=O)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:14| Show InChI InChI=1S/C26H25FN4O2/c27-20-7-1-2-8-21(20)29-26(33)31-15-17(25(32)30-10-3-4-11-30)12-19-18-6-5-9-22-24(18)16(14-28-22)13-23(19)31/h1-2,5-9,12,14,17,23,28H,3-4,10-11,13,15H2,(H,29,33)/t17-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349654
(CHEMBL1809014)Show SMILES O[C@H]1CCN(C1)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:23| Show InChI InChI=1S/C26H26N4O3/c31-19-9-10-29(15-19)25(32)17-11-21-20-7-4-8-22-24(20)16(13-27-22)12-23(21)30(14-17)26(33)28-18-5-2-1-3-6-18/h1-8,11,13,17,19,23,27,31H,9-10,12,14-15H2,(H,28,33)/t17-,19+,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50299165
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:21| Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50299165
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:21| Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced Ca2+ mobilization by FLIPR assay |
Bioorg Med Chem Lett 19: 6185-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.002 BindingDB Entry DOI: 10.7270/Q2VX0GJN |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349663
(CHEMBL1809028)Show SMILES O=C(NC1CCCCC1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:13| Show InChI InChI=1S/C26H32N4O2/c31-25(29-11-4-5-12-29)18-13-21-20-9-6-10-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-7-2-1-3-8-19/h6,9-10,13,15,18-19,23,27H,1-5,7-8,11-12,14,16H2,(H,28,32)/t18-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50349653
(CHEMBL1809012)Show SMILES O[C@@H]1CCN(C[C@@H]1O)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:25| Show InChI InChI=1S/C27H28N4O4/c32-23-9-10-30(15-24(23)33)26(34)17-11-20-19-7-4-8-21-25(19)16(13-28-21)12-22(20)31(14-17)27(35)29-18-5-2-1-3-6-18/h1-8,11,13,17,22-24,28,32-33H,9-10,12,14-15H2,(H,29,35)/t17-,22-,23-,24+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 4745-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5 |
More data for this Ligand-Target Pair | |