Found 72 hits with Last Name = 'bergare' and Initial = 'j' 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 |
|---|
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436912
(CHEMBL2401804)Show SMILES CCOC(=O)c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F Show InChI InChI=1S/C22H22F3N3O3S/c1-5-30-19(29)16-17(22(23,24)25)28-20(32-16)27-14-10-8-12-26-18(14)31-15-11-7-6-9-13(15)21(2,3)4/h6-12H,5H2,1-4H3,(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436910
(CHEMBL2401853)Show SMILES Cc1noc(n1)-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F Show InChI InChI=1S/C22H20F3N5O2S/c1-12-27-19(32-30-12)16-17(22(23,24)25)29-20(33-16)28-14-9-7-11-26-18(14)31-15-10-6-5-8-13(15)21(2,3)4/h5-11H,1-4H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436916
(CHEMBL2401800)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H22F3N3OS/c1-24(2,3)17-12-7-8-14-19(17)32-22-18(13-9-15-29-22)30-23-31-21(25(26,27)28)20(33-23)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436906
(CHEMBL2401857)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccccc1F)C(F)(F)F Show InChI InChI=1S/C25H21F4N3OS/c1-24(2,3)16-10-5-7-13-19(16)33-22-18(12-8-14-30-22)31-23-32-21(25(27,28)29)20(34-23)15-9-4-6-11-17(15)26/h4-14H,1-3H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436907
(CHEMBL2401856)Show SMILES Cc1ccc(cc1)-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F Show InChI InChI=1S/C26H24F3N3OS/c1-16-11-13-17(14-12-16)21-22(26(27,28)29)32-24(34-21)31-19-9-7-15-30-23(19)33-20-10-6-5-8-18(20)25(2,3)4/h5-15H,1-4H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436904
(CHEMBL2401859)Show SMILES COc1ccc(cc1)-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F Show InChI InChI=1S/C26H24F3N3O2S/c1-25(2,3)18-8-5-6-10-20(18)34-23-19(9-7-15-30-23)31-24-32-22(26(27,28)29)21(35-24)16-11-13-17(33-4)14-12-16/h5-15H,1-4H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436905
(CHEMBL2401858)Show SMILES COc1cccc(c1)-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F Show InChI InChI=1S/C26H24F3N3O2S/c1-25(2,3)18-11-5-6-13-20(18)34-23-19(12-8-14-30-23)31-24-32-22(26(27,28)29)21(35-24)16-9-7-10-17(15-16)33-4/h5-15H,1-4H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436908
(CHEMBL2401855)Show SMILES Cc1ccccc1-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F Show InChI InChI=1S/C26H24F3N3OS/c1-16-10-5-6-11-17(16)21-22(26(27,28)29)32-24(34-21)31-19-13-9-15-30-23(19)33-20-14-8-7-12-18(20)25(2,3)4/h5-15H,1-4H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436913
(CHEMBL2401803)Show SMILES Cc1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F Show InChI InChI=1S/C20H20F3N3OS/c1-12-16(20(21,22)23)26-18(28-12)25-14-9-7-11-24-17(14)27-15-10-6-5-8-13(15)19(2,3)4/h5-11H,1-4H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436903
(CHEMBL2401860)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccc(OC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C26H21F6N3O2S/c1-24(2,3)17-7-4-5-9-19(17)36-22-18(8-6-14-33-22)34-23-35-21(25(27,28)29)20(38-23)15-10-12-16(13-11-15)37-26(30,31)32/h4-14H,1-3H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436899
(CHEMBL2401864)Show SMILES CN(C)CC(C)(C)COc1cccc(c1)-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F Show InChI InChI=1S/C32H37F3N4O2S/c1-30(2,3)23-14-8-9-16-25(23)41-28-24(15-11-17-36-28)37-29-38-27(32(33,34)35)26(42-29)21-12-10-13-22(18-21)40-20-31(4,5)19-39(6)7/h8-18H,19-20H2,1-7H3,(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436918
(CHEMBL2401798)Show SMILES CCc1nc(Nc2cccnc2Oc2ccccc2C(C)(C)C)sc1-c1ccccc1 Show InChI InChI=1S/C26H27N3OS/c1-5-20-23(18-12-7-6-8-13-18)31-25(28-20)29-21-15-11-17-27-24(21)30-22-16-10-9-14-19(22)26(2,3)4/h6-17H,5H2,1-4H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436902
(CHEMBL2401861)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C26H21F3N4OS/c1-25(2,3)18-7-4-5-9-20(18)34-23-19(8-6-14-31-23)32-24-33-22(26(27,28)29)21(35-24)17-12-10-16(15-30)11-13-17/h4-14H,1-3H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436911
(CHEMBL2401805)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)C#N)C(F)(F)F Show InChI InChI=1S/C20H17F3N4OS/c1-19(2,3)12-7-4-5-9-14(12)28-17-13(8-6-10-25-17)26-18-27-16(20(21,22)23)15(11-24)29-18/h4-10H,1-3H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436917
(CHEMBL2401799)Show SMILES CC(C)(C)c1nc(Nc2cccnc2Oc2ccccc2C(C)(C)C)sc1-c1ccccc1 Show InChI InChI=1S/C28H31N3OS/c1-27(2,3)20-15-10-11-17-22(20)32-25-21(16-12-18-29-25)30-26-31-24(28(4,5)6)23(33-26)19-13-8-7-9-14-19/h7-18H,1-6H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436914
(CHEMBL2401802)Show SMILES CN(C)C(=O)c1nc(Nc2cccnc2Oc2ccccc2C(C)(C)C)sc1-c1ccccc1 Show InChI InChI=1S/C27H28N4O2S/c1-27(2,3)19-14-9-10-16-21(19)33-24-20(15-11-17-28-24)29-26-30-22(25(32)31(4)5)23(34-26)18-12-7-6-8-13-18/h6-17H,1-5H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 186 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436900
(CHEMBL2401863)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1cccc(O)c1)C(F)(F)F Show InChI InChI=1S/C25H22F3N3O2S/c1-24(2,3)17-10-4-5-12-19(17)33-22-18(11-7-13-29-22)30-23-31-21(25(26,27)28)20(34-23)15-8-6-9-16(32)14-15/h4-14,32H,1-3H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 195 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436915
(CHEMBL2401801)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccccc1)C(C)(C)CC(O)=O Show InChI InChI=1S/C29H31N3O3S/c1-28(2,3)20-14-9-10-16-22(20)35-26-21(15-11-17-30-26)31-27-32-25(29(4,5)18-23(33)34)24(36-27)19-12-7-6-8-13-19/h6-17H,18H2,1-5H3,(H,31,32)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 207 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436901
(CHEMBL2401862)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccccc1O)C(F)(F)F Show InChI InChI=1S/C25H22F3N3O2S/c1-24(2,3)16-10-5-7-13-19(16)33-22-17(11-8-14-29-22)30-23-31-21(25(26,27)28)20(34-23)15-9-4-6-12-18(15)32/h4-14,32H,1-3H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 435 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50436909
(CHEMBL2401854)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)C(N)=O)C(F)(F)F Show InChI InChI=1S/C20H19F3N4O2S/c1-19(2,3)11-7-4-5-9-13(11)29-17-12(8-6-10-25-17)26-18-27-15(20(21,22)23)14(30-18)16(24)28/h4-10H,1-3H3,(H2,24,28)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis |
Bioorg Med Chem Lett 23: 4026-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.087
BindingDB Entry DOI: 10.7270/Q2D50PC8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50430274
(CHEMBL2332935)Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H27ClN2O5/c1-15(27)25-20-4-3-18(28)11-22(20)30-14-19(29)13-26-8-6-23(7-9-26)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,19,28-29H,6-9,12-14H2,1H3,(H,25,27)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs |
Bioorg Med Chem Lett 23: 1883-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50430275
(CHEMBL2332933)Show SMILES CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H26F2N2O4/c1-15(28)26-20-4-2-18(25)11-22(20)30-14-19(29)13-27-8-6-23(7-9-27)12-16-10-17(24)3-5-21(16)31-23/h2-5,10-11,19,29H,6-9,12-14H2,1H3,(H,26,28)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs |
Bioorg Med Chem Lett 23: 1883-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50430274
(CHEMBL2332935)Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H27ClN2O5/c1-15(27)25-20-4-3-18(28)11-22(20)30-14-19(29)13-26-8-6-23(7-9-26)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,19,28-29H,6-9,12-14H2,1H3,(H,25,27)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50430280
(CHEMBL2332936)Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H27FN2O5/c1-15(27)25-20-4-3-18(28)11-22(20)30-14-19(29)13-26-8-6-23(7-9-26)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,19,28-29H,6-9,12-14H2,1H3,(H,25,27)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs |
Bioorg Med Chem Lett 23: 1883-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50430280
(CHEMBL2332936)Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H27FN2O5/c1-15(27)25-20-4-3-18(28)11-22(20)30-14-19(29)13-26-8-6-23(7-9-26)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,19,28-29H,6-9,12-14H2,1H3,(H,25,27)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50430286
(CHEMBL2332931)Show SMILES CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H26ClFN2O4/c1-15(28)26-20-4-3-18(25)11-22(20)30-14-19(29)13-27-8-6-23(7-9-27)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,19,29H,6-9,12-14H2,1H3,(H,26,28)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs |
Bioorg Med Chem Lett 23: 1883-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50430285
(CHEMBL2332940)Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H28ClN3O4/c1-15(28)26-20-4-3-19(29)11-22(20)30-14-18(25)13-27-8-6-23(7-9-27)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,18,29H,6-9,12-14,25H2,1H3,(H,26,28)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs |
Bioorg Med Chem Lett 23: 1883-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50430284
(CHEMBL2332930)Show SMILES COc1ccc(NC(C)=O)c(OC[C@@H](O)CN2CCC3(Cc4cc(Cl)ccc4O3)CC2)c1 |r| Show InChI InChI=1S/C24H29ClN2O5/c1-16(28)26-21-5-4-20(30-2)12-23(21)31-15-19(29)14-27-9-7-24(8-10-27)13-17-11-18(25)3-6-22(17)32-24/h3-6,11-12,19,29H,7-10,13-15H2,1-2H3,(H,26,28)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs |
Bioorg Med Chem Lett 23: 1883-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435690
(CHEMBL2391803)Show SMILES O[C@H](COc1cc(O)c(Cl)cc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C26H30Cl2N2O6/c27-17-1-2-23-16(9-17)12-26(36-23)4-7-29(8-5-26)13-19(32)15-35-24-11-22(33)21(28)10-20(24)25(34)30-6-3-18(31)14-30/h1-2,9-11,18-19,31-33H,3-8,12-15H2/t18-,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50430282
(CHEMBL2332934)Show SMILES CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H27FN2O4/c1-16(27)25-20-4-2-3-5-22(20)29-15-19(28)14-26-10-8-23(9-11-26)13-17-12-18(24)6-7-21(17)30-23/h2-7,12,19,28H,8-11,13-15H2,1H3,(H,25,27)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs |
Bioorg Med Chem Lett 23: 1883-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50430283
(CHEMBL2332932)Show SMILES CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H27ClN2O4/c1-16(27)25-20-4-2-3-5-22(20)29-15-19(28)14-26-10-8-23(9-11-26)13-17-12-18(24)6-7-21(17)30-23/h2-7,12,19,28H,8-11,13-15H2,1H3,(H,25,27)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs |
Bioorg Med Chem Lett 23: 1883-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435689
(CHEMBL2391810)Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CCC(O)CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C27H33ClN2O6/c28-19-1-4-24-18(13-19)15-27(36-24)7-11-29(12-8-27)16-22(33)17-35-25-14-21(32)2-3-23(25)26(34)30-9-5-20(31)6-10-30/h1-4,13-14,20,22,31-33H,5-12,15-17H2/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435688
(CHEMBL2391797)Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C28H36ClN3O5/c1-30(2)21-7-10-32(16-21)27(35)24-5-4-22(33)14-26(24)36-18-23(34)17-31-11-8-28(9-12-31)15-19-13-20(29)3-6-25(19)37-28/h3-6,13-14,21,23,33-34H,7-12,15-18H2,1-2H3/t21-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50430281
(CHEMBL2332941)Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H28FN3O4/c1-15(28)26-20-4-3-19(29)11-22(20)30-14-18(25)13-27-8-6-23(7-9-27)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,18,29H,6-9,12-14,25H2,1H3,(H,26,28)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs |
Bioorg Med Chem Lett 23: 1883-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435673
(CHEMBL2391795)Show SMILES O[C@H](COc1cc(O)ccc1C(=O)NC1CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C25H29ClN2O5/c26-17-1-6-22-16(11-17)13-25(33-22)7-9-28(10-8-25)14-20(30)15-32-23-12-19(29)4-5-21(23)24(31)27-18-2-3-18/h1,4-6,11-12,18,20,29-30H,2-3,7-10,13-15H2,(H,27,31)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435687
(CHEMBL2391939)Show SMILES O[C@H](COc1cc(F)ccc1C(=O)NC1CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C25H28ClFN2O4/c26-17-1-6-22-16(11-17)13-25(33-22)7-9-29(10-8-25)14-20(30)15-32-23-12-18(27)2-5-21(23)24(31)28-19-3-4-19/h1-2,5-6,11-12,19-20,30H,3-4,7-10,13-15H2,(H,28,31)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435686
(CHEMBL2391808)Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CCCC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C26H31ClN2O5/c27-19-3-6-23-18(13-19)15-26(34-23)7-11-28(12-8-26)16-21(31)17-33-24-14-20(30)4-5-22(24)25(32)29-9-1-2-10-29/h3-6,13-14,21,30-31H,1-2,7-12,15-17H2/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435671
(CHEMBL2391793)Show SMILES CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H27ClN2O5/c1-25-22(29)19-4-3-17(27)11-21(19)30-14-18(28)13-26-8-6-23(7-9-26)12-15-10-16(24)2-5-20(15)31-23/h2-5,10-11,18,27-28H,6-9,12-14H2,1H3,(H,25,29)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435666
(CHEMBL2391804)Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C26H31ClN2O6/c27-18-1-4-23-17(11-18)13-26(35-23)6-9-28(10-7-26)14-21(32)16-34-24-12-19(30)2-3-22(24)25(33)29-8-5-20(31)15-29/h1-4,11-12,20-21,30-32H,5-10,13-16H2/t20-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50430274
(CHEMBL2332935)Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H27ClN2O5/c1-15(27)25-20-4-3-18(28)11-22(20)30-14-19(29)13-26-8-6-23(7-9-26)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,19,28-29H,6-9,12-14H2,1H3,(H,25,27)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 1883-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435676
(CHEMBL2391938)Show SMILES COc1ccc(C(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(Cc4cc(Cl)ccc4O3)CC2)c1 |r| Show InChI InChI=1S/C26H31ClN2O5/c1-32-21-5-6-22(25(31)28-19-3-4-19)24(13-21)33-16-20(30)15-29-10-8-26(9-11-29)14-17-12-18(27)2-7-23(17)34-26/h2,5-7,12-13,19-20,30H,3-4,8-11,14-16H2,1H3,(H,28,31)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435668
(CHEMBL2391800)Show SMILES O[C@H](COc1cc(F)ccc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C26H30ClFN2O5/c27-18-1-4-23-17(11-18)13-26(35-23)6-9-29(10-7-26)14-21(32)16-34-24-12-19(28)2-3-22(24)25(33)30-8-5-20(31)15-30/h1-4,11-12,20-21,31-32H,5-10,13-16H2/t20-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50430280
(CHEMBL2332936)Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H27FN2O5/c1-15(27)25-20-4-3-18(28)11-22(20)30-14-19(29)13-26-8-6-23(7-9-26)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,19,28-29H,6-9,12-14H2,1H3,(H,25,27)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 1883-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435685
(CHEMBL2391937)Show SMILES O[C@H](COc1ccccc1C(=O)NC1CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C25H29ClN2O4/c26-18-5-8-22-17(13-18)14-25(32-22)9-11-28(12-10-25)15-20(29)16-31-23-4-2-1-3-21(23)24(30)27-19-6-7-19/h1-5,8,13,19-20,29H,6-7,9-12,14-16H2,(H,27,30)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435684
(CHEMBL2391794)Show SMILES CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H27FN2O5/c1-25-22(29)19-4-3-17(27)11-21(19)30-14-18(28)13-26-8-6-23(7-9-26)12-15-10-16(24)2-5-20(15)31-23/h2-5,10-11,18,27-28H,6-9,12-14H2,1H3,(H,25,29)/t18-/m0/s1 | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435683
(CHEMBL2391799)Show SMILES Cc1ccc(C(=O)N2CC[C@H](O)C2)c(OC[C@@H](O)CN2CCC3(Cc4cc(Cl)ccc4O3)CC2)c1 |r| Show InChI InChI=1S/C27H33ClN2O5/c1-18-2-4-23(26(33)30-9-6-21(31)16-30)25(12-18)34-17-22(32)15-29-10-7-27(8-11-29)14-19-13-20(28)3-5-24(19)35-27/h2-5,12-13,21-22,31-32H,6-11,14-17H2,1H3/t21-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50430279
(CHEMBL2332937)Show SMILES COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(Cc4cc(Cl)ccc4O3)CC2)c1 |r| Show InChI InChI=1S/C24H30ClN3O4/c1-16(29)27-21-5-4-20(30-2)12-23(21)31-15-19(26)14-28-9-7-24(8-10-28)13-17-11-18(25)3-6-22(17)32-24/h3-6,11-12,19H,7-10,13-15,26H2,1-2H3,(H,27,29)/t19-/m0/s1 | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs |
Bioorg Med Chem Lett 23: 1883-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435669
(CHEMBL2391809)Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CCCCC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C27H33ClN2O5/c28-20-4-7-24-19(14-20)16-27(35-24)8-12-29(13-9-27)17-22(32)18-34-25-15-21(31)5-6-23(25)26(33)30-10-2-1-3-11-30/h4-7,14-15,22,31-32H,1-3,8-13,16-18H2/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435667
(CHEMBL2391796)Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CC[C@@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C26H31ClN2O6/c27-18-1-4-23-17(11-18)13-26(35-23)6-9-28(10-7-26)14-21(32)16-34-24-12-19(30)2-3-22(24)25(33)29-8-5-20(31)15-29/h1-4,11-12,20-21,30-32H,5-10,13-16H2/t20-,21+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50435682
(CHEMBL2391806)Show SMILES CO[C@H]1CCN(C1)C(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C27H33ClN2O6/c1-34-22-6-9-30(16-22)26(33)23-4-3-20(31)13-25(23)35-17-21(32)15-29-10-7-27(8-11-29)14-18-12-19(28)2-5-24(18)36-27/h2-5,12-13,21-22,31-32H,6-11,14-17H2,1H3/t21-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 3500-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S |
More data for this
Ligand-Target Pair | |
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