Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50027651 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 |
|---|
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50231358
(1-((2R,3S)-4-((S)-3-(4-fluorobenzyl)piperidin-1-yl...)Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN1CCC[C@@H](Cc2ccc(F)cc2)C1 |r| Show InChI InChI=1S/C25H32FN7O2/c1-17(27-25(35)28-22-7-3-6-20(14-22)24-29-30-31-32(24)2)23(34)16-33-12-4-5-19(15-33)13-18-8-10-21(26)11-9-18/h3,6-11,14,17,19,23,34H,4-5,12-13,15-16H2,1-2H3,(H2,27,28,35)/t17-,19+,23+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50255040
(1-(6-(((S)-3-(4-fluorobenzyl) piperidin-1-yl)methy...)Show SMILES CN1CC(C)(NC(=O)Nc2cccc(c2)-c2nnnn2C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C28H35FN8O3/c1-28(31-26(38)30-23-8-4-7-21(15-23)25-32-33-34-36(25)3)18-35(2)27(39)40-24(28)17-37-13-5-6-20(16-37)14-19-9-11-22(29)12-10-19/h4,7-12,15,20,24H,5-6,13-14,16-18H2,1-3H3,(H2,30,31,38)/t20-,24?,28?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50255040
(1-(6-(((S)-3-(4-fluorobenzyl) piperidin-1-yl)methy...)Show SMILES CN1CC(C)(NC(=O)Nc2cccc(c2)-c2nnnn2C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C28H35FN8O3/c1-28(31-26(38)30-23-8-4-7-21(15-23)25-32-33-34-36(25)3)18-35(2)27(39)40-24(28)17-37-13-5-6-20(16-37)14-19-9-11-22(29)12-10-19/h4,7-12,15,20,24H,5-6,13-14,16-18H2,1-3H3,(H2,30,31,38)/t20-,24?,28?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50255006
(1-((5R,6S)-6-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)Show SMILES CN1C[C@@H](NC(=O)Nc2cccc(c2)-c2nnnn2C)[C@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C27H33FN8O3/c1-34-16-23(30-26(37)29-22-7-3-6-20(14-22)25-31-32-33-35(25)2)24(39-27(34)38)17-36-12-4-5-19(15-36)13-18-8-10-21(28)11-9-18/h3,6-11,14,19,23-24H,4-5,12-13,15-17H2,1-2H3,(H2,29,30,37)/t19-,23+,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 | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50231358
(1-((2R,3S)-4-((S)-3-(4-fluorobenzyl)piperidin-1-yl...)Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN1CCC[C@@H](Cc2ccc(F)cc2)C1 |r| Show InChI InChI=1S/C25H32FN7O2/c1-17(27-25(35)28-22-7-3-6-20(14-22)24-29-30-31-32(24)2)23(34)16-33-12-4-5-19(15-33)13-18-8-10-21(26)11-9-18/h3,6-11,14,17,19,23,34H,4-5,12-13,15-16H2,1-2H3,(H2,27,28,35)/t17-,19+,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50255042
(1-(5-acetyl-4-methylthiazol-2-yl) -3-(6-(((S)-3-(4...)Show SMILES CN1CC(C)(NC(=O)Nc2nc(C)cs2)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C24H32FN5O3S/c1-16-14-34-22(26-16)27-21(31)28-24(2)15-29(3)23(32)33-20(24)13-30-10-4-5-18(12-30)11-17-6-8-19(25)9-7-17/h6-9,14,18,20H,4-5,10-13,15H2,1-3H3,(H2,26,27,28,31)/t18-,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 | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50255042
(1-(5-acetyl-4-methylthiazol-2-yl) -3-(6-(((S)-3-(4...)Show SMILES CN1CC(C)(NC(=O)Nc2nc(C)cs2)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C24H32FN5O3S/c1-16-14-34-22(26-16)27-21(31)28-24(2)15-29(3)23(32)33-20(24)13-30-10-4-5-18(12-30)11-17-6-8-19(25)9-7-17/h6-9,14,18,20H,4-5,10-13,15H2,1-3H3,(H2,26,27,28,31)/t18-,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 | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50254448
(1-(6-((ethyl(3-(4-fluorophenyl) propyl)amino)methy...)Show SMILES CCN(CCCc1ccc(F)cc1)CC1OC(=O)N(C)CC1(C)NC(=O)Nc1cccc(c1)-c1nnnn1C Show InChI InChI=1S/C27H35FN8O3/c1-5-36(15-7-8-19-11-13-21(28)14-12-19)17-23-27(2,18-34(3)26(38)39-23)30-25(37)29-22-10-6-9-20(16-22)24-31-32-33-35(24)4/h6,9-14,16,23H,5,7-8,15,17-18H2,1-4H3,(H2,29,30,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50254448
(1-(6-((ethyl(3-(4-fluorophenyl) propyl)amino)methy...)Show SMILES CCN(CCCc1ccc(F)cc1)CC1OC(=O)N(C)CC1(C)NC(=O)Nc1cccc(c1)-c1nnnn1C Show InChI InChI=1S/C27H35FN8O3/c1-5-36(15-7-8-19-11-13-21(28)14-12-19)17-23-27(2,18-34(3)26(38)39-23)30-25(37)29-22-10-6-9-20(16-22)24-31-32-33-35(24)4/h6,9-14,16,23H,5,7-8,15,17-18H2,1-4H3,(H2,29,30,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50255070
(1-(5-acetyl-4-methylthiazol-2-yl)-3-(6-(((S)-3-(4-...)Show SMILES CN1CC(C)(NC(=O)Nc2nc(C)c(s2)C(C)=O)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C26H34FN5O4S/c1-16-22(17(2)33)37-24(28-16)29-23(34)30-26(3)15-31(4)25(35)36-21(26)14-32-11-5-6-19(13-32)12-18-7-9-20(27)10-8-18/h7-10,19,21H,5-6,11-15H2,1-4H3,(H2,28,29,30,34)/t19-,21?,26?/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 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50209984
(1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)Show SMILES CN1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O |r| Show InChI InChI=1S/C26H36FN5O2S/c1-17-24(18(2)33)35-26(28-17)30-25(34)29-23-16-31(3)12-10-21(23)15-32-11-4-5-20(14-32)13-19-6-8-22(27)9-7-19/h6-9,20-21,23H,4-5,10-16H2,1-3H3,(H2,28,29,30,34)/t20-,21-,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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50163634
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)Show SMILES Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 |r| Show InChI InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)22-8-4-9-25(17-22)30-28(37)31-26-10-3-2-7-23(26)19-36-15-5-6-21(18-36)16-20-11-13-24(29)14-12-20/h4,8-9,11-14,17,21,23,26H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t21-,23-,26+/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
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50255038
(1-((5R,6S)-6-((cyclopropyl(3-(4-fluorophenyl)propy...)Show SMILES CN1C[C@@H](NC(=O)Nc2cccc(c2)-c2nnnn2C)[C@H](CN(CCCc2ccc(F)cc2)C2CC2)OC1=O |r| Show InChI InChI=1S/C27H33FN8O3/c1-34-16-23(30-26(37)29-21-7-3-6-19(15-21)25-31-32-33-35(25)2)24(39-27(34)38)17-36(22-12-13-22)14-4-5-18-8-10-20(28)11-9-18/h3,6-11,15,22-24H,4-5,12-14,16-17H2,1-2H3,(H2,29,30,37)/t23-,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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50255042
(1-(5-acetyl-4-methylthiazol-2-yl) -3-(6-(((S)-3-(4...)Show SMILES CN1CC(C)(NC(=O)Nc2nc(C)cs2)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C24H32FN5O3S/c1-16-14-34-22(26-16)27-21(31)28-24(2)15-29(3)23(32)33-20(24)13-30-10-4-5-18(12-30)11-17-6-8-19(25)9-7-17/h6-9,14,18,20H,4-5,10-13,15H2,1-3H3,(H2,26,27,28,31)/t18-,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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50254447
(1-(4-tert-butylthiazol-2-yl)-3 -(6-(((S)-3-(4-fluo...)Show SMILES CN1CC(C)(NC(=O)Nc2nc(cs2)C(C)(C)C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C27H38FN5O3S/c1-26(2,3)21-16-37-24(29-21)30-23(34)31-27(4)17-32(5)25(35)36-22(27)15-33-12-6-7-19(14-33)13-18-8-10-20(28)11-9-18/h8-11,16,19,22H,6-7,12-15,17H2,1-5H3,(H2,29,30,31,34)/t19-,22?,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50254447
(1-(4-tert-butylthiazol-2-yl)-3 -(6-(((S)-3-(4-fluo...)Show SMILES CN1CC(C)(NC(=O)Nc2nc(cs2)C(C)(C)C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C27H38FN5O3S/c1-26(2,3)21-16-37-24(29-21)30-23(34)31-27(4)17-32(5)25(35)36-22(27)15-33-12-6-7-19(14-33)13-18-8-10-20(28)11-9-18/h8-11,16,19,22H,6-7,12-15,17H2,1-5H3,(H2,29,30,31,34)/t19-,22?,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50255039
(1-((5R,6S)-6-(((3-(4-fluorophenyl)propyl)(propyl)a...)Show SMILES CCCN(CCCc1ccc(F)cc1)C[C@@H]1OC(=O)N(C)C[C@H]1NC(=O)Nc1nc(C)cs1 |r| Show InChI InChI=1S/C23H32FN5O3S/c1-4-11-29(12-5-6-17-7-9-18(24)10-8-17)14-20-19(13-28(3)23(31)32-20)26-21(30)27-22-25-16(2)15-33-22/h7-10,15,19-20H,4-6,11-14H2,1-3H3,(H2,25,26,27,30)/t19-,20+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50163634
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)Show SMILES Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 |r| Show InChI InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)22-8-4-9-25(17-22)30-28(37)31-26-10-3-2-7-23(26)19-36-15-5-6-21(18-36)16-20-11-13-24(29)14-12-20/h4,8-9,11-14,17,21,23,26H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t21-,23-,26+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50255042
(1-(5-acetyl-4-methylthiazol-2-yl) -3-(6-(((S)-3-(4...)Show SMILES CN1CC(C)(NC(=O)Nc2nc(C)cs2)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C24H32FN5O3S/c1-16-14-34-22(26-16)27-21(31)28-24(2)15-29(3)23(32)33-20(24)13-30-10-4-5-18(12-30)11-17-6-8-19(25)9-7-17/h6-9,14,18,20H,4-5,10-13,15H2,1-3H3,(H2,26,27,28,31)/t18-,20?,24?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50255006
(1-((5R,6S)-6-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)Show SMILES CN1C[C@@H](NC(=O)Nc2cccc(c2)-c2nnnn2C)[C@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C27H33FN8O3/c1-34-16-23(30-26(37)29-22-7-3-6-20(14-22)25-31-32-33-35(25)2)24(39-27(34)38)17-36-12-4-5-19(15-36)13-18-8-10-21(28)11-9-18/h3,6-11,14,19,23-24H,4-5,12-13,15-17H2,1-2H3,(H2,29,30,37)/t19-,23+,24-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254448
(1-(6-((ethyl(3-(4-fluorophenyl) propyl)amino)methy...)Show SMILES CCN(CCCc1ccc(F)cc1)CC1OC(=O)N(C)CC1(C)NC(=O)Nc1cccc(c1)-c1nnnn1C Show InChI InChI=1S/C27H35FN8O3/c1-5-36(15-7-8-19-11-13-21(28)14-12-19)17-23-27(2,18-34(3)26(38)39-23)30-25(37)29-22-10-6-9-20(16-22)24-31-32-33-35(24)4/h6,9-14,16,23H,5,7-8,15,17-18H2,1-4H3,(H2,29,30,37) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254448
(1-(6-((ethyl(3-(4-fluorophenyl) propyl)amino)methy...)Show SMILES CCN(CCCc1ccc(F)cc1)CC1OC(=O)N(C)CC1(C)NC(=O)Nc1cccc(c1)-c1nnnn1C Show InChI InChI=1S/C27H35FN8O3/c1-5-36(15-7-8-19-11-13-21(28)14-12-19)17-23-27(2,18-34(3)26(38)39-23)30-25(37)29-22-10-6-9-20(16-22)24-31-32-33-35(24)4/h6,9-14,16,23H,5,7-8,15,17-18H2,1-4H3,(H2,29,30,37) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50209984
(1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)Show SMILES CN1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O |r| Show InChI InChI=1S/C26H36FN5O2S/c1-17-24(18(2)33)35-26(28-17)30-25(34)29-23-16-31(3)12-10-21(23)15-32-11-4-5-20(14-32)13-19-6-8-22(27)9-7-19/h6-9,20-21,23H,4-5,10-16H2,1-3H3,(H2,28,29,30,34)/t20-,21-,23+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50255040
(1-(6-(((S)-3-(4-fluorobenzyl) piperidin-1-yl)methy...)Show SMILES CN1CC(C)(NC(=O)Nc2cccc(c2)-c2nnnn2C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C28H35FN8O3/c1-28(31-26(38)30-23-8-4-7-21(15-23)25-32-33-34-36(25)3)18-35(2)27(39)40-24(28)17-37-13-5-6-20(16-37)14-19-9-11-22(29)12-10-19/h4,7-12,15,20,24H,5-6,13-14,16-18H2,1-3H3,(H2,30,31,38)/t20-,24?,28?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.57E+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 calcium-flux based assay |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50255040
(1-(6-(((S)-3-(4-fluorobenzyl) piperidin-1-yl)methy...)Show SMILES CN1CC(C)(NC(=O)Nc2cccc(c2)-c2nnnn2C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C28H35FN8O3/c1-28(31-26(38)30-23-8-4-7-21(15-23)25-32-33-34-36(25)3)18-35(2)27(39)40-24(28)17-37-13-5-6-20(16-37)14-19-9-11-22(29)12-10-19/h4,7-12,15,20,24H,5-6,13-14,16-18H2,1-3H3,(H2,30,31,38)/t20-,24?,28?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50255070
(1-(5-acetyl-4-methylthiazol-2-yl)-3-(6-(((S)-3-(4-...)Show SMILES CN1CC(C)(NC(=O)Nc2nc(C)c(s2)C(C)=O)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C26H34FN5O4S/c1-16-22(17(2)33)37-24(28-16)29-23(34)30-26(3)15-31(4)25(35)36-21(26)14-32-11-5-6-19(13-32)12-18-7-9-20(27)10-8-18/h7-10,19,21H,5-6,11-15H2,1-4H3,(H2,28,29,30,34)/t19-,21?,26?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50255040
(1-(6-(((S)-3-(4-fluorobenzyl) piperidin-1-yl)methy...)Show SMILES CN1CC(C)(NC(=O)Nc2cccc(c2)-c2nnnn2C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C28H35FN8O3/c1-28(31-26(38)30-23-8-4-7-21(15-23)25-32-33-34-36(25)3)18-35(2)27(39)40-24(28)17-37-13-5-6-20(16-37)14-19-9-11-22(29)12-10-19/h4,7-12,15,20,24H,5-6,13-14,16-18H2,1-3H3,(H2,30,31,38)/t20-,24?,28?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254447
(1-(4-tert-butylthiazol-2-yl)-3 -(6-(((S)-3-(4-fluo...)Show SMILES CN1CC(C)(NC(=O)Nc2nc(cs2)C(C)(C)C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C27H38FN5O3S/c1-26(2,3)21-16-37-24(29-21)30-23(34)31-27(4)17-32(5)25(35)36-22(27)15-33-12-6-7-19(14-33)13-18-8-10-20(28)11-9-18/h8-11,16,19,22H,6-7,12-15,17H2,1-5H3,(H2,29,30,31,34)/t19-,22?,27?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 96-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW |
More data for this
Ligand-Target Pair | |
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