Found 33 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 2
(Homo sapiens (Human)) | BDBM50009224
(CHEMBL3233188)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C27H40F3N3O4S/c1-17(2)32(6)21-10-11-23(19(15-21)16-38(36,37)26(3,4)5)33-13-12-22(25(33)35)31-24(34)18-8-7-9-20(14-18)27(28,29)30/h7-9,14,17,19,21-23H,10-13,15-16H2,1-6H3,(H,31,34)/t19-,21+,22-,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human monocytes assessed as reduction of chemotaxis in presence of 0.1 M BSA |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009220
(CHEMBL3233186)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H38F3N3O4S/c1-16(2)31(5)21-9-10-23(19(14-21)15-37(35,36)17(3)4)32-12-11-22(25(32)34)30-24(33)18-7-6-8-20(13-18)26(27,28)29/h6-8,13,16-17,19,21-23H,9-12,14-15H2,1-5H3,(H,30,33)/t19-,21+,22-,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human monocytes assessed as reduction of chemotaxis in presence of 0.1 M BSA |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009220
(CHEMBL3233186)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H38F3N3O4S/c1-16(2)31(5)21-9-10-23(19(14-21)15-37(35,36)17(3)4)32-12-11-22(25(32)34)30-24(33)18-7-6-8-20(13-18)26(27,28)29/h6-8,13,16-17,19,21-23H,9-12,14-15H2,1-5H3,(H,30,33)/t19-,21+,22-,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50315993
(CHEMBL1091605 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C29H36F3N3O4S/c1-19(2)34(3)23-12-13-26(21(17-23)18-40(38,39)24-10-5-4-6-11-24)35-15-14-25(28(35)37)33-27(36)20-8-7-9-22(16-20)29(30,31)32/h4-11,16,19,21,23,25-26H,12-15,17-18H2,1-3H3,(H,33,36)/t21-,23+,25-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human monocytes assessed as reduction of chemotaxis in presence of 0.1 M BSA |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009221
(CHEMBL3233187)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(C)(C)C)C1=O |r| Show InChI InChI=1S/C29H47N3O4S/c1-19(2)31(8)24-12-13-26(22(17-24)18-37(35,36)20(3)4)32-15-14-25(28(32)34)30-27(33)21-10-9-11-23(16-21)29(5,6)7/h9-11,16,19-20,22,24-26H,12-15,17-18H2,1-8H3,(H,30,33)/t22-,24+,25-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009217
(CHEMBL3233184)Show SMILES CCS(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C25H36F3N3O4S/c1-5-36(34,35)15-18-14-20(30(4)16(2)3)9-10-22(18)31-12-11-21(24(31)33)29-23(32)17-7-6-8-19(13-17)25(26,27)28/h6-8,13,16,18,20-22H,5,9-12,14-15H2,1-4H3,(H,29,32)/t18-,20+,21-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human monocytes assessed as reduction of chemotaxis in presence of 0.1 M BSA |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009214
(CHEMBL3233181)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(n2)C(C)(C)C)C1=O |r| Show InChI InChI=1S/C26H42N4O4S/c1-17(2)29(6)19-11-12-22(18(15-19)16-35(7,33)34)30-14-13-21(25(30)32)28-24(31)20-9-8-10-23(27-20)26(3,4)5/h8-10,17-19,21-22H,11-16H2,1-7H3,(H,28,31)/t18-,19+,21-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009224
(CHEMBL3233188)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C27H40F3N3O4S/c1-17(2)32(6)21-10-11-23(19(15-21)16-38(36,37)26(3,4)5)33-13-12-22(25(33)35)31-24(34)18-8-7-9-20(14-18)27(28,29)30/h7-9,14,17,19,21-23H,10-13,15-16H2,1-6H3,(H,31,34)/t19-,21+,22-,23-/m0/s1 | PDB
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 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50315993
(CHEMBL1091605 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C29H36F3N3O4S/c1-19(2)34(3)23-12-13-26(21(17-23)18-40(38,39)24-10-5-4-6-11-24)35-15-14-25(28(35)37)33-27(36)20-8-7-9-22(16-20)29(30,31)32/h4-11,16,19,21,23,25-26H,12-15,17-18H2,1-3H3,(H,33,36)/t21-,23+,25-,26-/m0/s1 | PDB
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]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009218
(CHEMBL3233185)Show SMILES CCS(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(c2)-c2ccccc2)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C30H41N3O4S/c1-5-38(36,37)20-25-19-26(32(4)21(2)3)14-15-28(25)33-17-16-27(30(33)35)31-29(34)24-13-9-12-23(18-24)22-10-7-6-8-11-22/h6-13,18,21,25-28H,5,14-17,19-20H2,1-4H3,(H,31,34)/t25-,26+,27-,28-/m0/s1 | PDB
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 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009213
(CHEMBL3233180)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(C)(C)C)C1=O |r| Show InChI InChI=1S/C27H43N3O4S/c1-18(2)29(6)22-11-12-24(20(16-22)17-35(7,33)34)30-14-13-23(26(30)32)28-25(31)19-9-8-10-21(15-19)27(3,4)5/h8-10,15,18,20,22-24H,11-14,16-17H2,1-7H3,(H,28,31)/t20-,22+,23-,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009243
(CHEMBL3233189)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cccc(OC(F)(F)F)c2)C1=O |r| Show InChI InChI=1S/C27H40F3N3O5S/c1-17(2)32(6)20-10-11-23(19(14-20)16-39(36,37)26(3,4)5)33-13-12-22(25(33)35)31-24(34)18-8-7-9-21(15-18)38-27(28,29)30/h7-9,15,17,19-20,22-23H,10-14,16H2,1-6H3,(H,31,34)/t19-,20+,22-,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009217
(CHEMBL3233184)Show SMILES CCS(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C25H36F3N3O4S/c1-5-36(34,35)15-18-14-20(30(4)16(2)3)9-10-22(18)31-12-11-21(24(31)33)29-23(32)17-7-6-8-19(13-17)25(26,27)28/h6-8,13,16,18,20-22H,5,9-12,14-15H2,1-4H3,(H,29,32)/t18-,20+,21-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009250
(CHEMBL3233190)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cc(F)cc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C27H39F4N3O4S/c1-16(2)33(6)21-7-8-23(18(13-21)15-39(37,38)26(3,4)5)34-10-9-22(25(34)36)32-24(35)17-11-19(27(29,30)31)14-20(28)12-17/h11-12,14,16,18,21-23H,7-10,13,15H2,1-6H3,(H,32,35)/t18-,21+,22-,23-/m0/s1 | PDB
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 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009211
(CHEMBL3233178)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H34F3N3O4S/c1-15(2)29(3)19-8-9-21(17(13-19)14-35(4,33)34)30-11-10-20(23(30)32)28-22(31)16-6-5-7-18(12-16)24(25,26)27/h5-7,12,15,17,19-21H,8-11,13-14H2,1-4H3,(H,28,31)/t17-,19+,20-,21-/m0/s1 | PDB
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 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009212
(CHEMBL3233179)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(n2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C23H33F3N4O4S/c1-14(2)29(3)16-8-9-19(15(12-16)13-35(4,33)34)30-11-10-18(22(30)32)28-21(31)17-6-5-7-20(27-17)23(24,25)26/h5-7,14-16,18-19H,8-13H2,1-4H3,(H,28,31)/t15-,16+,18-,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009211
(CHEMBL3233178)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H34F3N3O4S/c1-15(2)29(3)19-8-9-21(17(13-19)14-35(4,33)34)30-11-10-20(23(30)32)28-22(31)16-6-5-7-18(12-16)24(25,26)27/h5-7,12,15,17,19-21H,8-11,13-14H2,1-4H3,(H,28,31)/t17-,19+,20-,21-/m0/s1 | PDB
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 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human monocytes assessed as reduction of chemotaxis in presence of 0.1 M BSA |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009216
(CHEMBL3233183)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(OC(F)(F)F)c2)C1=O |r| Show InChI InChI=1S/C24H34F3N3O5S/c1-15(2)29(3)18-8-9-21(17(12-18)14-36(4,33)34)30-11-10-20(23(30)32)28-22(31)16-6-5-7-19(13-16)35-24(25,26)27/h5-7,13,15,17-18,20-21H,8-12,14H2,1-4H3,(H,28,31)/t17-,18+,20-,21-/m0/s1 | PDB
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 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009215
(CHEMBL3233182)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2ccc(C)c(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H36F3N3O4S/c1-15(2)30(4)19-8-9-22(18(12-19)14-36(5,34)35)31-11-10-21(24(31)33)29-23(32)17-7-6-16(3)20(13-17)25(26,27)28/h6-7,13,15,18-19,21-22H,8-12,14H2,1-5H3,(H,29,32)/t18-,19+,21-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50315993
(CHEMBL1091605 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C29H36F3N3O4S/c1-19(2)34(3)23-12-13-26(21(17-23)18-40(38,39)24-10-5-4-6-11-24)35-15-14-25(28(35)37)33-27(36)20-8-7-9-22(16-20)29(30,31)32/h4-11,16,19,21,23,25-26H,12-15,17-18H2,1-3H3,(H,33,36)/t21-,23+,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50009218
(CHEMBL3233185)Show SMILES CCS(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(c2)-c2ccccc2)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C30H41N3O4S/c1-5-38(36,37)20-25-19-26(32(4)21(2)3)14-15-28(25)33-17-16-27(30(33)35)31-29(34)24-13-9-12-23(18-24)22-10-7-6-8-11-22/h6-13,18,21,25-28H,5,14-17,19-20H2,1-4H3,(H,31,34)/t25-,26+,27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50009221
(CHEMBL3233187)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(C)(C)C)C1=O |r| Show InChI InChI=1S/C29H47N3O4S/c1-19(2)31(8)24-12-13-26(22(17-24)18-37(35,36)20(3)4)32-15-14-25(28(32)34)30-27(33)21-10-9-11-23(16-21)29(5,6)7/h9-11,16,19-20,22,24-26H,12-15,17-18H2,1-8H3,(H,30,33)/t22-,24+,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50009211
(CHEMBL3233178)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H34F3N3O4S/c1-15(2)29(3)19-8-9-21(17(13-19)14-35(4,33)34)30-11-10-20(23(30)32)28-22(31)16-6-5-7-18(12-16)24(25,26)27/h5-7,12,15,17,19-21H,8-11,13-14H2,1-4H3,(H,28,31)/t17-,19+,20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50009224
(CHEMBL3233188)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C27H40F3N3O4S/c1-17(2)32(6)21-10-11-23(19(15-21)16-38(36,37)26(3,4)5)33-13-12-22(25(33)35)31-24(34)18-8-7-9-20(14-18)27(28,29)30/h7-9,14,17,19,21-23H,10-13,15-16H2,1-6H3,(H,31,34)/t19-,21+,22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50009220
(CHEMBL3233186)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H38F3N3O4S/c1-16(2)31(5)21-9-10-23(19(14-21)15-37(35,36)17(3)4)32-12-11-22(25(32)34)30-24(33)18-7-6-8-20(13-18)26(27,28)29/h6-8,13,16-17,19,21-23H,9-12,14-15H2,1-5H3,(H,30,33)/t19-,21+,22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50009217
(CHEMBL3233184)Show SMILES CCS(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C25H36F3N3O4S/c1-5-36(34,35)15-18-14-20(30(4)16(2)3)9-10-22(18)31-12-11-21(24(31)33)29-23(32)17-7-6-8-19(13-17)25(26,27)28/h6-8,13,16,18,20-22H,5,9-12,14-15H2,1-4H3,(H,29,32)/t18-,20+,21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50009215
(CHEMBL3233182)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2ccc(C)c(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H36F3N3O4S/c1-15(2)30(4)19-8-9-22(18(12-19)14-36(5,34)35)31-11-10-21(24(31)33)29-23(32)17-7-6-16(3)20(13-17)25(26,27)28/h6-7,13,15,18-19,21-22H,8-12,14H2,1-5H3,(H,29,32)/t18-,19+,21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50009243
(CHEMBL3233189)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cccc(OC(F)(F)F)c2)C1=O |r| Show InChI InChI=1S/C27H40F3N3O5S/c1-17(2)32(6)20-10-11-23(19(14-20)16-39(36,37)26(3,4)5)33-13-12-22(25(33)35)31-24(34)18-8-7-9-21(15-18)38-27(28,29)30/h7-9,15,17,19-20,22-23H,10-14,16H2,1-6H3,(H,31,34)/t19-,20+,22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50009213
(CHEMBL3233180)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(C)(C)C)C1=O |r| Show InChI InChI=1S/C27H43N3O4S/c1-18(2)29(6)22-11-12-24(20(16-22)17-35(7,33)34)30-14-13-23(26(30)32)28-25(31)19-9-8-10-21(15-19)27(3,4)5/h8-10,15,18,20,22-24H,11-14,16-17H2,1-7H3,(H,28,31)/t20-,22+,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50009250
(CHEMBL3233190)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cc(F)cc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C27H39F4N3O4S/c1-16(2)33(6)21-7-8-23(18(13-21)15-39(37,38)26(3,4)5)34-10-9-22(25(34)36)32-24(35)17-11-19(27(29,30)31)14-20(28)12-17/h11-12,14,16,18,21-23H,7-10,13,15H2,1-6H3,(H,32,35)/t18-,21+,22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50009216
(CHEMBL3233183)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(OC(F)(F)F)c2)C1=O |r| Show InChI InChI=1S/C24H34F3N3O5S/c1-15(2)29(3)18-8-9-21(17(12-18)14-36(4,33)34)30-11-10-20(23(30)32)28-22(31)16-6-5-7-19(13-16)35-24(25,26)27/h5-7,13,15,17-18,20-21H,8-12,14H2,1-4H3,(H,28,31)/t17-,18+,20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50009214
(CHEMBL3233181)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(n2)C(C)(C)C)C1=O |r| Show InChI InChI=1S/C26H42N4O4S/c1-17(2)29(6)19-11-12-22(18(15-19)16-35(7,33)34)30-14-13-21(25(30)32)28-24(31)20-9-8-10-23(27-20)26(3,4)5/h8-10,17-19,21-22H,11-16H2,1-7H3,(H,28,31)/t18-,19+,21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50009212
(CHEMBL3233179)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(n2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C23H33F3N4O4S/c1-14(2)29(3)16-8-9-19(15(12-16)13-35(4,33)34)30-11-10-18(22(30)32)28-21(31)17-6-5-7-20(27-17)23(24,25)26/h5-7,14-16,18-19H,8-13H2,1-4H3,(H,28,31)/t15-,16+,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
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