Found 51 hits Enz. Inhib. hit(s) with all data for entry = 50046451 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-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113443
(CHEMBL3604484)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccn1 Show InChI InChI=1S/C20H20ClN3O2S/c1-20(2,3)14-5-8-16(9-6-14)27(25,26)24-18-10-7-15(21)13-17(18)19-22-11-4-12-23-19/h4-13,24H,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113442
(CHEMBL3604485)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncncc1N Show InChI InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-18-9-6-14(21)10-16(18)19-17(22)11-23-12-24-19/h4-12,25H,22H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113441
(CHEMBL3604486)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1N Show InChI InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-17-9-6-14(21)12-16(17)18-19(22)24-11-10-23-18/h4-12,25H,1-3H3,(H2,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113352
(CHEMBL3604487)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nnccc1N Show InChI InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-18-9-6-14(21)12-16(18)19-17(22)10-11-23-24-19/h4-12,25H,1-3H3,(H2,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113354
(CHEMBL3604489)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nc(N)ncc1O Show InChI InChI=1S/C20H21ClN4O3S/c1-20(2,3)12-4-7-14(8-5-12)29(27,28)25-16-9-6-13(21)10-15(16)18-17(26)11-23-19(22)24-18/h4-11,25-26H,1-3H3,(H2,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113427
(CHEMBL3604496)Show SMILES CCc1ncnc(c1O)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H24ClN3O3S/c1-5-18-21(27)20(25-13-24-18)17-12-15(23)8-11-19(17)26-30(28,29)16-9-6-14(7-10-16)22(2,3)4/h6-13,26-27H,5H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113440
(CHEMBL3604483)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccc(CO)c1O Show InChI InChI=1S/C22H23ClN2O4S/c1-22(2,3)15-4-7-17(8-5-15)30(28,29)25-19-9-6-16(23)12-18(19)20-21(27)14(13-26)10-11-24-20/h4-12,25-27H,13H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113358
(CHEMBL3604493)Show SMILES CN(C)c1ncnc(c1O)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H25ClN4O3S/c1-22(2,3)14-6-9-16(10-7-14)31(29,30)26-18-11-8-15(23)12-17(18)19-20(28)21(27(4)5)25-13-24-19/h6-13,26,28H,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50398334
(CHEMBL2178578)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113353
(CHEMBL3604488)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncncc1O Show InChI InChI=1S/C20H20ClN3O3S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)24-17-9-6-14(21)10-16(17)19-18(25)11-22-12-23-19/h4-12,24-25H,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50398334
(CHEMBL2178578)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113360
(CHEMBL3604495)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncnc(CO)c1O Show InChI InChI=1S/C21H22ClN3O4S/c1-21(2,3)13-4-7-15(8-5-13)30(28,29)25-17-9-6-14(22)10-16(17)19-20(27)18(11-26)23-12-24-19/h4-10,12,25-27H,11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113357
(CHEMBL3604492)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncnc(N)c1O Show InChI InChI=1S/C20H21ClN4O3S/c1-20(2,3)12-4-7-14(8-5-12)29(27,28)25-16-9-6-13(21)10-15(16)17-18(26)19(22)24-11-23-17/h4-11,25-26H,1-3H3,(H2,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113352
(CHEMBL3604487)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nnccc1N Show InChI InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-18-9-6-14(21)12-16(18)19-17(22)10-11-23-24-19/h4-12,25H,1-3H3,(H2,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113441
(CHEMBL3604486)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1N Show InChI InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-17-9-6-14(21)12-16(17)18-19(22)24-11-10-23-18/h4-12,25H,1-3H3,(H2,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113428
(CHEMBL3604497)Show SMILES CNc1nccnc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H23ClN4O2S/c1-21(2,3)14-5-8-16(9-6-14)29(27,28)26-18-10-7-15(22)13-17(18)19-20(23-4)25-12-11-24-19/h5-13,26H,1-4H3,(H,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113359
(CHEMBL3604494)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nncc(N2CCOCC2)c1N Show InChI InChI=1S/C24H28ClN5O3S/c1-24(2,3)16-4-7-18(8-5-16)34(31,32)29-20-9-6-17(25)14-19(20)23-22(26)21(15-27-28-23)30-10-12-33-13-11-30/h4-9,14-15,29H,10-13H2,1-3H3,(H2,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113355
(CHEMBL3604490)Show SMILES CNc1ncc(O)c(n1)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H23ClN4O3S/c1-21(2,3)13-5-8-15(9-6-13)30(28,29)26-17-10-7-14(22)11-16(17)19-18(27)12-24-20(23-4)25-19/h5-12,26-27H,1-4H3,(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113438
(CHEMBL3604476)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccc1O Show InChI InChI=1S/C21H21ClN2O3S/c1-21(2,3)14-6-9-16(10-7-14)28(26,27)24-18-11-8-15(22)13-17(18)20-19(25)5-4-12-23-20/h4-13,24-25H,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113354
(CHEMBL3604489)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nc(N)ncc1O Show InChI InChI=1S/C20H21ClN4O3S/c1-20(2,3)12-4-7-14(8-5-12)29(27,28)25-16-9-6-13(21)10-15(16)18-17(26)11-23-19(22)24-18/h4-11,25-26H,1-3H3,(H2,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113430
(CHEMBL3604499)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1NCCO Show InChI InChI=1S/C22H25ClN4O3S/c1-22(2,3)15-4-7-17(8-5-15)31(29,30)27-19-9-6-16(23)14-18(19)20-21(26-12-13-28)25-11-10-24-20/h4-11,14,27-28H,12-13H2,1-3H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113430
(CHEMBL3604499)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1NCCO Show InChI InChI=1S/C22H25ClN4O3S/c1-22(2,3)15-4-7-17(8-5-15)31(29,30)27-19-9-6-16(23)14-18(19)20-21(26-12-13-28)25-11-10-24-20/h4-11,14,27-28H,12-13H2,1-3H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113444
(CHEMBL3604482)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccc(C(N)=O)c1O Show InChI InChI=1S/C22H22ClN3O4S/c1-22(2,3)13-4-7-15(8-5-13)31(29,30)26-18-9-6-14(23)12-17(18)19-20(27)16(21(24)28)10-11-25-19/h4-12,26-27H,1-3H3,(H2,24,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113427
(CHEMBL3604496)Show SMILES CCc1ncnc(c1O)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H24ClN3O3S/c1-5-18-21(27)20(25-13-24-18)17-12-15(23)8-11-19(17)26-30(28,29)16-9-6-14(7-10-16)22(2,3)4/h6-13,26-27H,5H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113447
(CHEMBL3604478)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccc1CO Show InChI InChI=1S/C22H23ClN2O3S/c1-22(2,3)16-6-9-18(10-7-16)29(27,28)25-20-11-8-17(23)13-19(20)21-15(14-26)5-4-12-24-21/h4-13,25-26H,14H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113448
(CHEMBL3604477)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccc1N Show InChI InChI=1S/C21H22ClN3O2S/c1-21(2,3)14-6-9-16(10-7-14)28(26,27)25-19-11-8-15(22)13-17(19)20-18(23)5-4-12-24-20/h4-13,25H,23H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113358
(CHEMBL3604493)Show SMILES CN(C)c1ncnc(c1O)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H25ClN4O3S/c1-22(2,3)14-6-9-16(10-7-14)31(29,30)26-18-11-8-15(23)12-17(18)19-20(28)21(27(4)5)25-13-24-19/h6-13,26,28H,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113430
(CHEMBL3604499)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1NCCO Show InChI InChI=1S/C22H25ClN4O3S/c1-22(2,3)15-4-7-17(8-5-15)31(29,30)27-19-9-6-16(23)14-18(19)20-21(26-12-13-28)25-11-10-24-20/h4-11,14,27-28H,12-13H2,1-3H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by serum chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113359
(CHEMBL3604494)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nncc(N2CCOCC2)c1N Show InChI InChI=1S/C24H28ClN5O3S/c1-24(2,3)16-4-7-18(8-5-16)34(31,32)29-20-9-6-17(25)14-19(20)23-22(26)21(15-27-28-23)30-10-12-33-13-11-30/h4-9,14-15,29H,10-13H2,1-3H3,(H2,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113356
(CHEMBL3604491)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nc(NCCO)ncc1O Show InChI InChI=1S/C22H25ClN4O4S/c1-22(2,3)14-4-7-16(8-5-14)32(30,31)27-18-9-6-15(23)12-17(18)20-19(29)13-25-21(26-20)24-10-11-28/h4-9,12-13,27-29H,10-11H2,1-3H3,(H,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 214 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113428
(CHEMBL3604497)Show SMILES CNc1nccnc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H23ClN4O2S/c1-21(2,3)14-5-8-16(9-6-14)29(27,28)26-18-10-7-15(22)13-17(18)19-20(23-4)25-12-11-24-19/h5-13,26H,1-4H3,(H,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113434
(CHEMBL3604503)Show SMILES Cc1cnc(c(NCCO)n1)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H27ClN4O3S/c1-15-14-26-21(22(27-15)25-11-12-29)19-13-17(24)7-10-20(19)28-32(30,31)18-8-5-16(6-9-18)23(2,3)4/h5-10,13-14,28-29H,11-12H2,1-4H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 268 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113360
(CHEMBL3604495)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncnc(CO)c1O Show InChI InChI=1S/C21H22ClN3O4S/c1-21(2,3)13-4-7-15(8-5-13)30(28,29)25-17-9-6-14(22)10-16(17)19-20(27)18(11-26)23-12-24-19/h4-10,12,25-27H,11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 325 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113440
(CHEMBL3604483)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccc(CO)c1O Show InChI InChI=1S/C22H23ClN2O4S/c1-22(2,3)15-4-7-17(8-5-15)30(28,29)25-19-9-6-16(23)12-18(19)20-21(27)14(13-26)10-11-24-20/h4-12,25-27H,13H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113357
(CHEMBL3604492)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncnc(N)c1O Show InChI InChI=1S/C20H21ClN4O3S/c1-20(2,3)12-4-7-14(8-5-12)29(27,28)25-16-9-6-13(21)10-15(16)17-18(26)19(22)24-11-23-17/h4-11,25-26H,1-3H3,(H2,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113429
(CHEMBL3604498)Show SMILES CCNc1nccnc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H25ClN4O2S/c1-5-24-21-20(25-12-13-26-21)18-14-16(23)8-11-19(18)27-30(28,29)17-9-6-15(7-10-17)22(2,3)4/h6-14,27H,5H2,1-4H3,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 421 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113439
(CHEMBL3604481)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1c(O)ccc[n+]1[O-] |(3.74,.93,;2.67,1.54,;2.67,2.77,;3.73,2.16,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;-2.67,-1.54,;-2.67,-2.77,;-3.73,-2.16,;-4,-.77,;-5.34,-1.54,;-5.33,-3.08,;-6.67,-3.85,;-8,-3.09,;-9.07,-3.7,;-8,-1.55,;-6.67,-.77,;-6.68,.77,;-5.35,1.54,;-4.28,.93,;-5.35,3.08,;-6.69,3.85,;-8.02,3.07,;-8.01,1.53,;-9.08,.91,)| Show InChI InChI=1S/C21H21ClN2O4S/c1-21(2,3)14-6-9-16(10-7-14)29(27,28)23-18-11-8-15(22)13-17(18)20-19(25)5-4-12-24(20)26/h4-13,23,25H,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 491 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50398334
(CHEMBL2178578)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 539 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by serum chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113431
(CHEMBL3604500)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1NCCCO Show InChI InChI=1S/C23H27ClN4O3S/c1-23(2,3)16-5-8-18(9-6-16)32(30,31)28-20-10-7-17(24)15-19(20)21-22(26-11-4-14-29)27-13-12-25-21/h5-10,12-13,15,28-29H,4,11,14H2,1-3H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 614 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113437
(CHEMBL3604505)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nc(Cl)cnc1NCCO Show InChI InChI=1S/C22H24Cl2N4O3S/c1-22(2,3)14-4-7-16(8-5-14)32(30,31)28-18-9-6-15(23)12-17(18)20-21(25-10-11-29)26-13-19(24)27-20/h4-9,12-13,28-29H,10-11H2,1-3H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 715 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113353
(CHEMBL3604488)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncncc1O Show InChI InChI=1S/C20H20ClN3O3S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)24-17-9-6-14(21)10-16(17)19-18(25)11-22-12-23-19/h4-12,24-25H,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113433
(CHEMBL3604502)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1NCC(O)=O Show InChI InChI=1S/C22H23ClN4O4S/c1-22(2,3)14-4-7-16(8-5-14)32(30,31)27-18-9-6-15(23)12-17(18)20-21(25-11-10-24-20)26-13-19(28)29/h4-12,27H,13H2,1-3H3,(H,25,26)(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 812 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113449
(CHEMBL3604475)Show SMILES COc1cccnc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H23ClN2O3S/c1-22(2,3)15-7-10-17(11-8-15)29(26,27)25-19-12-9-16(23)14-18(19)21-20(28-4)6-5-13-24-21/h5-14,25H,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 958 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113435
(CHEMBL3604504)Show SMILES CNc1cnc(c(NCCO)n1)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H28ClN5O3S/c1-23(2,3)15-5-8-17(9-6-15)33(31,32)29-19-10-7-16(24)13-18(19)21-22(26-11-12-30)28-20(25-4)14-27-21/h5-10,13-14,29-30H,11-12H2,1-4H3,(H2,25,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113438
(CHEMBL3604476)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccc1O Show InChI InChI=1S/C21H21ClN2O3S/c1-21(2,3)14-6-9-16(10-7-14)28(26,27)24-18-11-8-15(22)13-17(18)20-19(25)5-4-12-23-20/h4-13,24-25H,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113439
(CHEMBL3604481)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1c(O)ccc[n+]1[O-] |(3.74,.93,;2.67,1.54,;2.67,2.77,;3.73,2.16,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;-2.67,-1.54,;-2.67,-2.77,;-3.73,-2.16,;-4,-.77,;-5.34,-1.54,;-5.33,-3.08,;-6.67,-3.85,;-8,-3.09,;-9.07,-3.7,;-8,-1.55,;-6.67,-.77,;-6.68,.77,;-5.35,1.54,;-4.28,.93,;-5.35,3.08,;-6.69,3.85,;-8.02,3.07,;-8.01,1.53,;-9.08,.91,)| Show InChI InChI=1S/C21H21ClN2O4S/c1-21(2,3)14-6-9-16(10-7-14)29(27,28)23-18-11-8-15(22)13-17(18)20-19(25)5-4-12-24(20)26/h4-13,23,25H,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113450
(CHEMBL3604474)Show SMILES COc1ccnc(c1)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H23ClN2O3S/c1-22(2,3)15-5-8-18(9-6-15)29(26,27)25-20-10-7-16(23)13-19(20)21-14-17(28-4)11-12-24-21/h5-14,25H,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113446
(CHEMBL3604479)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccc1CN Show InChI InChI=1S/C22H24ClN3O2S/c1-22(2,3)16-6-9-18(10-7-16)29(27,28)26-20-11-8-17(23)13-19(20)21-15(14-24)5-4-12-25-21/h4-13,26H,14,24H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113445
(CHEMBL3604480)Show SMILES COCc1cccnc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H25ClN2O3S/c1-23(2,3)17-7-10-19(11-8-17)30(27,28)26-21-12-9-18(24)14-20(21)22-16(15-29-4)6-5-13-25-22/h5-14,26H,15H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 9
(Homo sapiens (Human)) | BDBM50113432
(CHEMBL3604501)Show SMILES CN(C)CCNc1nccnc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C24H30ClN5O2S/c1-24(2,3)17-6-9-19(10-7-17)33(31,32)29-21-11-8-18(25)16-20(21)22-23(27-13-12-26-22)28-14-15-30(4)5/h6-13,16,29H,14-15H2,1-5H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK... |
Bioorg Med Chem Lett 25: 3661-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.046
BindingDB Entry DOI: 10.7270/Q2RR2123 |
More data for this
Ligand-Target Pair | |
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