Found 5 hits for monomerid = 50463583 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
C-C chemokine receptor type 6
(Homo sapiens (Human)) | BDBM50463583
(CHEMBL4242040)Show SMILES FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)nc1 |r,wU:12.15,wD:9.8,(2.41,-58.88,;3.74,-58.11,;2.96,-56.77,;4.5,-56.77,;5.08,-58.88,;6.4,-58.1,;7.74,-58.87,;7.75,-60.42,;9.08,-61.19,;10.41,-60.41,;11.74,-61.19,;13.07,-60.43,;13.08,-58.89,;11.74,-58.11,;10.4,-58.88,;14.41,-58.12,;13.63,-56.78,;15.17,-56.78,;15.75,-58.89,;15.73,-60.43,;17.06,-61.21,;18.4,-60.44,;18.4,-58.89,;17.07,-58.12,;19.73,-61.21,;19.72,-62.75,;21.06,-63.52,;22.39,-62.75,;22.39,-61.2,;21.06,-60.44,;23.73,-63.52,;25.05,-64.29,;6.41,-61.19,;5.07,-60.42,)| Show InChI InChI=1S/C25H22F3N3O2S/c26-25(27,28)20-7-14-24(30-16-20)31-21-8-12-23(13-9-21)34(32,33)22-10-5-19(6-11-22)18-3-1-17(15-29)2-4-18/h1-7,10-11,14,16,21,23H,8-9,12-13H2,(H,30,31)/t21-,23- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of human CCR6 expressed in CHO cells assessed as decrease in CCL20-induced reduction of forskolin-stimulated cAMP accumulation preincubate... |
Bioorg Med Chem Lett 28: 3067-3072 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.042
BindingDB Entry DOI: 10.7270/Q2DF6TWP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 7
(Homo sapiens (Human)) | BDBM50463583
(CHEMBL4242040)Show SMILES FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)nc1 |r,wU:12.15,wD:9.8,(2.41,-58.88,;3.74,-58.11,;2.96,-56.77,;4.5,-56.77,;5.08,-58.88,;6.4,-58.1,;7.74,-58.87,;7.75,-60.42,;9.08,-61.19,;10.41,-60.41,;11.74,-61.19,;13.07,-60.43,;13.08,-58.89,;11.74,-58.11,;10.4,-58.88,;14.41,-58.12,;13.63,-56.78,;15.17,-56.78,;15.75,-58.89,;15.73,-60.43,;17.06,-61.21,;18.4,-60.44,;18.4,-58.89,;17.07,-58.12,;19.73,-61.21,;19.72,-62.75,;21.06,-63.52,;22.39,-62.75,;22.39,-61.2,;21.06,-60.44,;23.73,-63.52,;25.05,-64.29,;6.41,-61.19,;5.07,-60.42,)| Show InChI InChI=1S/C25H22F3N3O2S/c26-25(27,28)20-7-14-24(30-16-20)31-21-8-12-23(13-9-21)34(32,33)22-10-5-19(6-11-22)18-3-1-17(15-29)2-4-18/h1-7,10-11,14,16,21,23H,8-9,12-13H2,(H,30,31)/t21-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of human CCR7 expressed in CHO cells assessed as decrease in CCL19-induced reduction of forskolin-stimulated cAMP accumulation preincubate... |
Bioorg Med Chem Lett 28: 3067-3072 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.042
BindingDB Entry DOI: 10.7270/Q2DF6TWP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 6
(Homo sapiens (Human)) | BDBM50463583
(CHEMBL4242040)Show SMILES FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)nc1 |r,wU:12.15,wD:9.8,(2.41,-58.88,;3.74,-58.11,;2.96,-56.77,;4.5,-56.77,;5.08,-58.88,;6.4,-58.1,;7.74,-58.87,;7.75,-60.42,;9.08,-61.19,;10.41,-60.41,;11.74,-61.19,;13.07,-60.43,;13.08,-58.89,;11.74,-58.11,;10.4,-58.88,;14.41,-58.12,;13.63,-56.78,;15.17,-56.78,;15.75,-58.89,;15.73,-60.43,;17.06,-61.21,;18.4,-60.44,;18.4,-58.89,;17.07,-58.12,;19.73,-61.21,;19.72,-62.75,;21.06,-63.52,;22.39,-62.75,;22.39,-61.2,;21.06,-60.44,;23.73,-63.52,;25.05,-64.29,;6.41,-61.19,;5.07,-60.42,)| Show InChI InChI=1S/C25H22F3N3O2S/c26-25(27,28)20-7-14-24(30-16-20)31-21-8-12-23(13-9-21)34(32,33)22-10-5-19(6-11-22)18-3-1-17(15-29)2-4-18/h1-7,10-11,14,16,21,23H,8-9,12-13H2,(H,30,31)/t21-,23- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of human CCR6 expressed in CHO cells assessed as decrease in human CCL20-dependent cell migration incubated for 4 hrs by Diff-Quik stainin... |
Bioorg Med Chem Lett 28: 3067-3072 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.042
BindingDB Entry DOI: 10.7270/Q2DF6TWP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 6
(Macaca mulatta) | BDBM50463583
(CHEMBL4242040)Show SMILES FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)nc1 |r,wU:12.15,wD:9.8,(2.41,-58.88,;3.74,-58.11,;2.96,-56.77,;4.5,-56.77,;5.08,-58.88,;6.4,-58.1,;7.74,-58.87,;7.75,-60.42,;9.08,-61.19,;10.41,-60.41,;11.74,-61.19,;13.07,-60.43,;13.08,-58.89,;11.74,-58.11,;10.4,-58.88,;14.41,-58.12,;13.63,-56.78,;15.17,-56.78,;15.75,-58.89,;15.73,-60.43,;17.06,-61.21,;18.4,-60.44,;18.4,-58.89,;17.07,-58.12,;19.73,-61.21,;19.72,-62.75,;21.06,-63.52,;22.39,-62.75,;22.39,-61.2,;21.06,-60.44,;23.73,-63.52,;25.05,-64.29,;6.41,-61.19,;5.07,-60.42,)| Show InChI InChI=1S/C25H22F3N3O2S/c26-25(27,28)20-7-14-24(30-16-20)31-21-8-12-23(13-9-21)34(32,33)22-10-5-19(6-11-22)18-3-1-17(15-29)2-4-18/h1-7,10-11,14,16,21,23H,8-9,12-13H2,(H,30,31)/t21-,23- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of monkey CCR6 expressed in CHO cells assessed as decrease in CCL20-induced reduction of forskolin-stimulated cAMP accumulation preincubat... |
Bioorg Med Chem Lett 28: 3067-3072 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.042
BindingDB Entry DOI: 10.7270/Q2DF6TWP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50463583
(CHEMBL4242040)Show SMILES FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)nc1 |r,wU:12.15,wD:9.8,(2.41,-58.88,;3.74,-58.11,;2.96,-56.77,;4.5,-56.77,;5.08,-58.88,;6.4,-58.1,;7.74,-58.87,;7.75,-60.42,;9.08,-61.19,;10.41,-60.41,;11.74,-61.19,;13.07,-60.43,;13.08,-58.89,;11.74,-58.11,;10.4,-58.88,;14.41,-58.12,;13.63,-56.78,;15.17,-56.78,;15.75,-58.89,;15.73,-60.43,;17.06,-61.21,;18.4,-60.44,;18.4,-58.89,;17.07,-58.12,;19.73,-61.21,;19.72,-62.75,;21.06,-63.52,;22.39,-62.75,;22.39,-61.2,;21.06,-60.44,;23.73,-63.52,;25.05,-64.29,;6.41,-61.19,;5.07,-60.42,)| Show InChI InChI=1S/C25H22F3N3O2S/c26-25(27,28)20-7-14-24(30-16-20)31-21-8-12-23(13-9-21)34(32,33)22-10-5-19(6-11-22)18-3-1-17(15-29)2-4-18/h1-7,10-11,14,16,21,23H,8-9,12-13H2,(H,30,31)/t21-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of human CCR1 expressed in CHO cells assessed as decrease in RANTES-induced reduction of forskolin-stimulated cAMP accumulation preincubat... |
Bioorg Med Chem Lett 28: 3067-3072 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.042
BindingDB Entry DOI: 10.7270/Q2DF6TWP |
More data for this
Ligand-Target Pair | |
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