Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) with all data for entry = 50025501
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Université Libre de Bruxelles

Curated by ChEMBL
LigandPNGBDBM50088301((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
Affinity DataIC50: 0.0300nMAssay Description:Displacement of [125I]MCP1 from CCR2/CXCR4 (unknown origin) expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Université Libre de Bruxelles

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 0.0400nMAssay Description:Displacement of [125I]SDF1alpha from CCR2/CXCR4 (unknown origin) expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Université Libre de Bruxelles

Curated by ChEMBL
LigandPNGBDBM50088301((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
Affinity DataIC50: 0.0800nMAssay Description:Displacement of [125I]SDF1alpha from CCR2/CXCR4 (unknown origin) expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Université Libre de Bruxelles

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [125I]MCP1 from CCR2/CXCR4 (unknown origin) expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Université Libre de Bruxelles

Curated by ChEMBL
LigandPNGBDBM50088301((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
Affinity DataIC50: 0.25nMAssay Description:Displacement of [125I]MCP1 from CCR2 (unknown origin) expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Université Libre de Bruxelles

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 0.810nMAssay Description:Displacement of [125I]SDF1alpha from CXCR4 (unknown origin) expressed in CHOK1 cellsMore data for this Ligand-Target Pair