Found 50 hits of Enzyme Inhibition Constant Data 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 1
(Homo sapiens (Human)) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056498
(CHEMBL3334818)Show SMILES CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C26H34ClN3O3/c1-18(2)22(29-24(32)28-16-19-8-6-5-7-9-19)23(31)30-15-14-26(33,25(3,4)17-30)20-10-12-21(27)13-11-20/h5-13,18,22,33H,14-17H2,1-4H3,(H2,28,29,32)/t22-,26+/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056497
(CHEMBL3334817)Show SMILES CC[C@H](C)NC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O3/c1-7-16(4)25-21(29)26-19(15(2)3)20(28)27-13-12-23(30,22(5,6)14-27)17-8-10-18(24)11-9-17/h8-11,15-16,19,30H,7,12-14H2,1-6H3,(H2,25,26,29)/t16-,19+,23-/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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056503
(CHEMBL3334823)Show SMILES C[C@@H](O)CNC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H34ClN3O4/c1-14(2)18(25-20(29)24-12-15(3)27)19(28)26-11-10-22(30,21(4,5)13-26)16-6-8-17(23)9-7-16/h6-9,14-15,18,27,30H,10-13H2,1-5H3,(H2,24,25,29)/t15-,18-,22+/m1/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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056441
(CHEMBL3334725)Show SMILES CC(C)[C@@H](NC(=O)NC1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O3/c1-16(2)20(27-22(30)26-19-7-5-6-8-19)21(29)28-14-13-24(31,23(3,4)15-28)17-9-11-18(25)12-10-17/h9-12,16,19-20,31H,5-8,13-15H2,1-4H3,(H2,26,27,30)/t20-,24+/m1/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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056476
(CHEMBL3334728)Show SMILES CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O4/c1-15(2)20(27-22(31)26-18-9-10-19(29)13-18)21(30)28-12-11-24(32,23(3,4)14-28)16-5-7-17(25)8-6-16/h5-8,15,18-20,29,32H,9-14H2,1-4H3,(H2,26,27,31)/t18-,19+,20-,24+/m1/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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056505
(CHEMBL3334825)Show SMILES CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H37ClN2O4/c1-16(2)20(26-19(28)11-12-23(5,6)30)21(29)27-14-13-24(31,22(3,4)15-27)17-7-9-18(25)10-8-17/h7-10,16,20,30-31H,11-15H2,1-6H3,(H,26,28)/t20-,24+/m1/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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056501
(CHEMBL3334821)Show SMILES C[C@H](O)CNC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H34ClN3O4/c1-14(2)18(25-20(29)24-12-15(3)27)19(28)26-11-10-22(30,21(4,5)13-26)16-6-8-17(23)9-7-16/h6-9,14-15,18,27,30H,10-13H2,1-5H3,(H2,24,25,29)/t15-,18+,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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056497
(CHEMBL3334817)Show SMILES CC[C@H](C)NC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O3/c1-7-16(4)25-21(29)26-19(15(2)3)20(28)27-13-12-23(30,22(5,6)14-27)17-8-10-18(24)11-9-17/h8-11,15-16,19,30H,7,12-14H2,1-6H3,(H2,25,26,29)/t16-,19+,23-/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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056502
(CHEMBL3334822)Show SMILES C[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H33ClN2O4/c1-14(2)19(24-18(27)12-15(3)26)20(28)25-11-10-22(29,21(4,5)13-25)16-6-8-17(23)9-7-16/h6-9,14-15,19,26,29H,10-13H2,1-5H3,(H,24,27)/t15-,19-,22+/m1/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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056466
(CHEMBL3334727)Show SMILES CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O4/c1-15(2)20(27-22(31)26-18-9-10-19(29)13-18)21(30)28-12-11-24(32,23(3,4)14-28)16-5-7-17(25)8-6-16/h5-8,15,18-20,29,32H,9-14H2,1-4H3,(H2,26,27,31)/t18-,19-,20+,24-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056441
(CHEMBL3334725)Show SMILES CC(C)[C@@H](NC(=O)NC1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O3/c1-16(2)20(27-22(30)26-19-7-5-6-8-19)21(29)28-14-13-24(31,23(3,4)15-28)17-9-11-18(25)12-10-17/h9-12,16,19-20,31H,5-8,13-15H2,1-4H3,(H2,26,27,30)/t20-,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056496
(CHEMBL3334815)Show SMILES CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O4/c1-15(2)20(27-22(31)26-18-9-10-19(29)13-18)21(30)28-12-11-24(32,23(3,4)14-28)16-5-7-17(25)8-6-16/h5-8,15,18-20,29,32H,9-14H2,1-4H3,(H2,26,27,31)/t18-,19+,20+,24-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM113727
(US8633226, 897)Show SMILES CC[C@@H](C)NC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O3/c1-7-16(4)25-21(29)26-19(15(2)3)20(28)27-13-12-23(30,22(5,6)14-27)17-8-10-18(24)11-9-17/h8-11,15-16,19,30H,7,12-14H2,1-6H3,(H2,25,26,29)/t16-,19-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50436259
(CHEMBL2398716 | US8633226, 1356)Show SMILES CC(C)[C@@H](NC(=O)CC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H35ClN2O4/c1-15(2)19(25-18(27)13-22(5,6)29)20(28)26-12-11-23(30,21(3,4)14-26)16-7-9-17(24)10-8-16/h7-10,15,19,29-30H,11-14H2,1-6H3,(H,25,27)/t19-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of HCC4-induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of RANTES-induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056476
(CHEMBL3334728)Show SMILES CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O4/c1-15(2)20(27-22(31)26-18-9-10-19(29)13-18)21(30)28-12-11-24(32,23(3,4)14-28)16-5-7-17(25)8-6-16/h5-8,15,18-20,29,32H,9-14H2,1-4H3,(H2,26,27,31)/t18-,19+,20-,24+/m1/s1 | 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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056450
(CHEMBL3334726)Show SMILES CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O4/c1-15(2)20(27-22(31)26-18-9-10-19(29)13-18)21(30)28-12-11-24(32,23(3,4)14-28)16-5-7-17(25)8-6-16/h5-8,15,18-20,29,32H,9-14H2,1-4H3,(H2,26,27,31)/t18-,19-,20-,24+/m1/s1 | 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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMIP-1alpha from CCR1 in human PBMC |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM113727
(US8633226, 897)Show SMILES CC[C@@H](C)NC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O3/c1-7-16(4)25-21(29)26-19(15(2)3)20(28)27-13-12-23(30,22(5,6)14-27)17-8-10-18(24)11-9-17/h8-11,15-16,19,30H,7,12-14H2,1-6H3,(H2,25,26,29)/t16-,19-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056496
(CHEMBL3334815)Show SMILES CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O4/c1-15(2)20(27-22(31)26-18-9-10-19(29)13-18)21(30)28-12-11-24(32,23(3,4)14-28)16-5-7-17(25)8-6-16/h5-8,15,18-20,29,32H,9-14H2,1-4H3,(H2,26,27,31)/t18-,19+,20+,24-/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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056503
(CHEMBL3334823)Show SMILES C[C@@H](O)CNC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H34ClN3O4/c1-14(2)18(25-20(29)24-12-15(3)27)19(28)26-11-10-22(30,21(4,5)13-26)16-6-8-17(23)9-7-16/h6-9,14-15,18,27,30H,10-13H2,1-5H3,(H2,24,25,29)/t15-,18-,22+/m1/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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056501
(CHEMBL3334821)Show SMILES C[C@H](O)CNC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H34ClN3O4/c1-14(2)18(25-20(29)24-12-15(3)27)19(28)26-11-10-22(30,21(4,5)13-26)16-6-8-17(23)9-7-16/h6-9,14-15,18,27,30H,10-13H2,1-5H3,(H2,24,25,29)/t15-,18+,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 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of HCC1-induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056499
(CHEMBL3334819)Show SMILES CC(C)[C@@H](NC(=O)N1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H34ClN3O3/c1-16(2)19(25-21(29)26-12-5-6-13-26)20(28)27-14-11-23(30,22(3,4)15-27)17-7-9-18(24)10-8-17/h7-10,16,19,30H,5-6,11-15H2,1-4H3,(H,25,29)/t19-,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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MCP3-induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056466
(CHEMBL3334727)Show SMILES CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O4/c1-15(2)20(27-22(31)26-18-9-10-19(29)13-18)21(30)28-12-11-24(32,23(3,4)14-28)16-5-7-17(25)8-6-16/h5-8,15,18-20,29,32H,9-14H2,1-4H3,(H2,26,27,31)/t18-,19-,20+,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056500
(CHEMBL3334820)Show SMILES C[C@H](O)CC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H33ClN2O4/c1-14(2)19(24-18(27)12-15(3)26)20(28)25-11-10-22(29,21(4,5)13-25)16-6-8-17(23)9-7-16/h6-9,14-15,19,26,29H,10-13H2,1-5H3,(H,24,27)/t15-,19+,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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MPIF1-induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of LKN1-induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056450
(CHEMBL3334726)Show SMILES CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O4/c1-15(2)20(27-22(31)26-18-9-10-19(29)13-18)21(30)28-12-11-24(32,23(3,4)14-28)16-5-7-17(25)8-6-16/h5-8,15,18-20,29,32H,9-14H2,1-4H3,(H2,26,27,31)/t18-,19-,20-,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056440
(CHEMBL3334724)Show SMILES CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C25H32ClN3O3/c1-17(2)21(28-23(31)27-20-8-6-5-7-9-20)22(30)29-15-14-25(32,24(3,4)16-29)18-10-12-19(26)13-11-18/h5-13,17,21,32H,14-16H2,1-4H3,(H2,27,28,31)/t21-,25+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056505
(CHEMBL3334825)Show SMILES CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H37ClN2O4/c1-16(2)20(26-19(28)11-12-23(5,6)30)21(29)27-14-13-24(31,22(3,4)15-27)17-7-9-18(25)10-8-17/h7-10,16,20,30-31H,11-15H2,1-6H3,(H,26,28)/t20-,24+/m1/s1 | PDB
Reactome pathway
KEGG
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human whole blood assessed as blocked of MIP-1alpha-mediated CD11b upregulation preincubated for 1 hr |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human whole blood assessed as blocked of LKN1-mediated CD11b upregulation preincubated for 1 hr |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
Chemokine (C-C motif) receptor 1
(Canis familiaris) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | UniProtKB/TrEMBL
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| n/a | n/a | 635 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMIP-1alpha from dog PBMC CCR1 |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Mus musculus) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | KEGG
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMIP-1alpha from mouse CCR1 |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50056476
(CHEMBL3334728)Show SMILES CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O4/c1-15(2)20(27-22(31)26-18-9-10-19(29)13-18)21(30)28-12-11-24(32,23(3,4)14-28)16-5-7-17(25)8-6-16/h5-8,15,18-20,29,32H,9-14H2,1-4H3,(H2,26,27,31)/t18-,19+,20-,24+/m1/s1 | PDB
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UniChem
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| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Transactivation of human full-length PXR transfected in human HepG2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50056503
(CHEMBL3334823)Show SMILES C[C@@H](O)CNC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H34ClN3O4/c1-14(2)18(25-20(29)24-12-15(3)27)19(28)26-11-10-22(30,21(4,5)13-26)16-6-8-17(23)9-7-16/h6-9,14-15,18,27,30H,10-13H2,1-5H3,(H2,24,25,29)/t15-,18-,22+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Transactivation of human full-length PXR transfected in human HepG2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50436259
(CHEMBL2398716 | US8633226, 1356)Show SMILES CC(C)[C@@H](NC(=O)CC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H35ClN2O4/c1-15(2)19(25-18(27)13-22(5,6)29)20(28)26-12-11-23(30,21(3,4)14-26)16-7-9-17(24)10-8-16/h7-10,15,19,29-30H,11-14H2,1-6H3,(H,25,27)/t19-,23+/m1/s1 | PDB
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Article
PubMed
| n/a | n/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Transactivation of human full-length PXR transfected in human HepG2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50056505
(CHEMBL3334825)Show SMILES CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H37ClN2O4/c1-16(2)20(26-19(28)11-12-23(5,6)30)21(29)27-14-13-24(31,22(3,4)15-27)17-7-9-18(25)10-8-17/h7-10,16,20,30-31H,11-15H2,1-6H3,(H,26,28)/t20-,24+/m1/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Transactivation of human full-length PXR transfected in human HepG2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Transactivation of human full-length PXR transfected in human HepG2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50056496
(CHEMBL3334815)Show SMILES CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O4/c1-15(2)20(27-22(31)26-18-9-10-19(29)13-18)21(30)28-12-11-24(32,23(3,4)14-28)16-5-7-17(25)8-6-16/h5-8,15,18-20,29,32H,9-14H2,1-4H3,(H2,26,27,31)/t18-,19+,20+,24-/m0/s1 | PDB
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Transactivation of human full-length PXR transfected in human HepG2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50056502
(CHEMBL3334822)Show SMILES C[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H33ClN2O4/c1-14(2)19(24-18(27)12-15(3)26)20(28)25-11-10-22(29,21(4,5)13-25)16-6-8-17(23)9-7-16/h6-9,14-15,19,26,29H,10-13H2,1-5H3,(H,24,27)/t15-,19-,22+/m1/s1 | PDB
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| CHEMBL
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UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Transactivation of human full-length PXR transfected in human HepG2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50056450
(CHEMBL3334726)Show SMILES CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O4/c1-15(2)20(27-22(31)26-18-9-10-19(29)13-18)21(30)28-12-11-24(32,23(3,4)14-28)16-5-7-17(25)8-6-16/h5-8,15,18-20,29,32H,9-14H2,1-4H3,(H2,26,27,31)/t18-,19-,20-,24+/m1/s1 | PDB
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Transactivation of human full-length PXR transfected in human HepG2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50056501
(CHEMBL3334821)Show SMILES C[C@H](O)CNC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H34ClN3O4/c1-14(2)18(25-20(29)24-12-15(3)27)19(28)26-11-10-22(30,21(4,5)13-26)16-6-8-17(23)9-7-16/h6-9,14-15,18,27,30H,10-13H2,1-5H3,(H2,24,25,29)/t15-,18+,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Transactivation of human full-length PXR transfected in human HepG2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50056466
(CHEMBL3334727)Show SMILES CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O4/c1-15(2)20(27-22(31)26-18-9-10-19(29)13-18)21(30)28-12-11-24(32,23(3,4)14-28)16-5-7-17(25)8-6-16/h5-8,15,18-20,29,32H,9-14H2,1-4H3,(H2,26,27,31)/t18-,19-,20+,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Transactivation of human full-length PXR transfected in human HepG2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
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