Found 41 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 8
(Homo sapiens (Human)) | BDBM50185909
(2-(3-((1-(3-(2-chlorophenoxy)benzyl)piperidin-4-yl...)Show SMILES CC(C)(N1CCC(C1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O Show InChI InChI=1S/C33H38ClN3O4/c1-32(2,31(39)40)37-20-17-33(23-37,25-10-4-3-5-11-25)30(38)35-26-15-18-36(19-16-26)22-24-9-8-12-27(21-24)41-29-14-7-6-13-28(29)34/h3-14,21,26H,15-20,22-23H2,1-2H3,(H,35,38)(H,39,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185912
(2-(4-{1-[3-(2-chloro-phenoxy)-benzyl]-piperidin-4-...)Show SMILES CC(C)(N1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O Show InChI InChI=1S/C34H40ClN3O4/c1-33(2,32(40)41)38-21-17-34(18-22-38,26-10-4-3-5-11-26)31(39)36-27-15-19-37(20-16-27)24-25-9-8-12-28(23-25)42-30-14-7-6-13-29(30)35/h3-14,23,27H,15-22,24H2,1-2H3,(H,36,39)(H,40,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185908
(1-ethyl-4-phenyl-piperidine-4-carboxylic acid {1-[...)Show SMILES CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3OC)c2)CC1)c1ccccc1 Show InChI InChI=1S/C33H41N3O3/c1-3-35-22-18-33(19-23-35,27-11-5-4-6-12-27)32(37)34-28-16-20-36(21-17-28)25-26-10-9-13-29(24-26)39-31-15-8-7-14-30(31)38-2/h4-15,24,28H,3,16-23,25H2,1-2H3,(H,34,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185910
(1-ethyl-4-phenyl-piperidine-4-carboxylic acid {1-[...)Show SMILES CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C32H38ClN3O2/c1-2-35-21-17-32(18-22-35,26-10-4-3-5-11-26)31(37)34-27-15-19-36(20-16-27)24-25-9-8-12-28(23-25)38-30-14-7-6-13-29(30)33/h3-14,23,27H,2,15-22,24H2,1H3,(H,34,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185906
(1-[3-(2-chlorophenoxy)benzyl]-4-{[(1-ethyl-4-pheny...)Show SMILES CCN1CCC(CC1)(C(=O)NC1(CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)C(O)=O)c1ccccc1 Show InChI InChI=1S/C33H38ClN3O4/c1-2-36-19-15-32(16-20-36,26-10-4-3-5-11-26)30(38)35-33(31(39)40)17-21-37(22-18-33)24-25-9-8-12-27(23-25)41-29-14-7-6-13-28(29)34/h3-14,23H,2,15-22,24H2,1H3,(H,35,38)(H,39,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185904
((+/-) 3-phenyl-pyrrolidine-3-carboxylic acid {1-[3...)Show SMILES Clc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNC2)c2ccccc2)c1 Show InChI InChI=1S/C29H32ClN3O2/c30-26-11-4-5-12-27(26)35-25-10-6-7-22(19-25)20-33-17-13-24(14-18-33)32-28(34)29(15-16-31-21-29)23-8-2-1-3-9-23/h1-12,19,24,31H,13-18,20-21H2,(H,32,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185902
(1-[3-(2-methoxy-phenoxy)-benzyl]-4-[(4-phenyl-pipe...)Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)(NC(=O)C2(CCNCC2)c2ccccc2)C(O)=O)c1 Show InChI InChI=1S/C32H37N3O5/c1-39-27-12-5-6-13-28(27)40-26-11-7-8-24(22-26)23-35-20-16-32(17-21-35,30(37)38)34-29(36)31(14-18-33-19-15-31)25-9-3-2-4-10-25/h2-13,22,33H,14-21,23H2,1H3,(H,34,36)(H,37,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185905
(4-phenyl-piperidine-4-carboxylic acid {1-[3-(2-met...)Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNCC2)c2ccccc2)c1 Show InChI InChI=1S/C31H37N3O3/c1-36-28-12-5-6-13-29(28)37-27-11-7-8-24(22-27)23-34-20-14-26(15-21-34)33-30(35)31(16-18-32-19-17-31)25-9-3-2-4-10-25/h2-13,22,26,32H,14-21,23H2,1H3,(H,33,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185915
(1-(4-chloro-phenyl)-cyclohexanecarboxylic acid {1-...)Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCCCC2)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C32H37ClN2O3/c1-37-29-10-3-4-11-30(29)38-28-9-7-8-24(22-28)23-35-20-16-27(17-21-35)34-31(36)32(18-5-2-6-19-32)25-12-14-26(33)15-13-25/h3-4,7-15,22,27H,2,5-6,16-21,23H2,1H3,(H,34,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185907
(CHEMBL210322 | N-{1-[3-(2-methoxy-phenoxy)-benzyl]...)Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C27H30N2O3/c1-31-25-12-5-6-13-26(25)32-24-11-7-10-22(18-24)20-29-16-14-23(15-17-29)28-27(30)19-21-8-3-2-4-9-21/h2-13,18,23H,14-17,19-20H2,1H3,(H,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50185905
(4-phenyl-piperidine-4-carboxylic acid {1-[3-(2-met...)Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNCC2)c2ccccc2)c1 Show InChI InChI=1S/C31H37N3O3/c1-36-28-12-5-6-13-29(28)37-27-11-7-8-24(22-27)23-34-20-14-26(15-21-34)33-30(35)31(16-18-32-19-17-31)25-9-3-2-4-10-25/h2-13,22,26,32H,14-21,23H2,1H3,(H,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185911
(CHEMBL205692 | N-[1-(3-phenoxy-benzyl)-piperidin-4...)Show SMILES O=C(Cc1ccccc1)NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 Show InChI InChI=1S/C26H28N2O2/c29-26(19-21-8-3-1-4-9-21)27-23-14-16-28(17-15-23)20-22-10-7-13-25(18-22)30-24-11-5-2-6-12-24/h1-13,18,23H,14-17,19-20H2,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185903
(1-(3-phenoxy-benzyl)-piperidine-4-carboxylic acid ...)Show InChI InChI=1S/C21H25NO3/c1-2-24-21(23)18-11-13-22(14-12-18)16-17-7-6-10-20(15-17)25-19-8-4-3-5-9-19/h3-10,15,18H,2,11-14,16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185916
(1-(3-phenoxy-benzyl)-piperidine-4-carboxylic acid ...)Show InChI InChI=1S/C21H26N2O2/c1-2-22-21(24)18-11-13-23(14-12-18)16-17-7-6-10-20(15-17)25-19-8-4-3-5-9-19/h3-10,15,18H,2,11-14,16H2,1H3,(H,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185913
(CHEMBL381354 | N-[1-(3-phenoxy-benzyl)-piperidin-4...)Show InChI InChI=1S/C21H26N2O2/c1-2-21(24)22-18-11-13-23(14-12-18)16-17-7-6-10-20(15-17)25-19-8-4-3-5-9-19/h3-10,15,18H,2,11-14,16H2,1H3,(H,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50185906
(1-[3-(2-chlorophenoxy)benzyl]-4-{[(1-ethyl-4-pheny...)Show SMILES CCN1CCC(CC1)(C(=O)NC1(CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)C(O)=O)c1ccccc1 Show InChI InChI=1S/C33H38ClN3O4/c1-2-36-19-15-32(16-20-36,26-10-4-3-5-11-26)30(38)35-33(31(39)40)17-21-37(22-18-33)24-25-9-8-12-27(23-25)41-29-14-7-6-13-28(29)34/h3-14,23H,2,15-22,24H2,1H3,(H,35,38)(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50185909
(2-(3-((1-(3-(2-chlorophenoxy)benzyl)piperidin-4-yl...)Show SMILES CC(C)(N1CCC(C1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O Show InChI InChI=1S/C33H38ClN3O4/c1-32(2,31(39)40)37-20-17-33(23-37,25-10-4-3-5-11-25)30(38)35-26-15-18-36(19-16-26)22-24-9-8-12-27(21-24)41-29-14-7-6-13-28(29)34/h3-14,21,26H,15-20,22-23H2,1-2H3,(H,35,38)(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50185902
(1-[3-(2-methoxy-phenoxy)-benzyl]-4-[(4-phenyl-pipe...)Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)(NC(=O)C2(CCNCC2)c2ccccc2)C(O)=O)c1 Show InChI InChI=1S/C32H37N3O5/c1-39-27-12-5-6-13-28(27)40-26-11-7-8-24(22-26)23-35-20-16-32(17-21-35,30(37)38)34-29(36)31(14-18-33-19-15-31)25-9-3-2-4-10-25/h2-13,22,33H,14-21,23H2,1H3,(H,34,36)(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185914
(1-(3-phenoxybenzyl)piperidine-4-carboxylic acid | ...)Show InChI InChI=1S/C19H21NO3/c21-19(22)16-9-11-20(12-10-16)14-15-5-4-8-18(13-15)23-17-6-2-1-3-7-17/h1-8,13,16H,9-12,14H2,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185909
(2-(3-((1-(3-(2-chlorophenoxy)benzyl)piperidin-4-yl...)Show SMILES CC(C)(N1CCC(C1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O Show InChI InChI=1S/C33H38ClN3O4/c1-32(2,31(39)40)37-20-17-33(23-37,25-10-4-3-5-11-25)30(38)35-26-15-18-36(19-16-26)22-24-9-8-12-27(21-24)41-29-14-7-6-13-28(29)34/h3-14,21,26H,15-20,22-23H2,1-2H3,(H,35,38)(H,39,40) | 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 |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185912
(2-(4-{1-[3-(2-chloro-phenoxy)-benzyl]-piperidin-4-...)Show SMILES CC(C)(N1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O Show InChI InChI=1S/C34H40ClN3O4/c1-33(2,32(40)41)38-21-17-34(18-22-38,26-10-4-3-5-11-26)31(39)36-27-15-19-37(20-16-27)24-25-9-8-12-28(23-25)42-30-14-7-6-13-29(30)35/h3-14,23,27H,15-22,24H2,1-2H3,(H,36,39)(H,40,41) | 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 |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185905
(4-phenyl-piperidine-4-carboxylic acid {1-[3-(2-met...)Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNCC2)c2ccccc2)c1 Show InChI InChI=1S/C31H37N3O3/c1-36-28-12-5-6-13-29(28)37-27-11-7-8-24(22-27)23-34-20-14-26(15-21-34)33-30(35)31(16-18-32-19-17-31)25-9-3-2-4-10-25/h2-13,22,26,32H,14-21,23H2,1H3,(H,33,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185904
((+/-) 3-phenyl-pyrrolidine-3-carboxylic acid {1-[3...)Show SMILES Clc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNC2)c2ccccc2)c1 Show InChI InChI=1S/C29H32ClN3O2/c30-26-11-4-5-12-27(26)35-25-10-6-7-22(19-25)20-33-17-13-24(14-18-33)32-28(34)29(15-16-31-21-29)23-8-2-1-3-9-23/h1-12,19,24,31H,13-18,20-21H2,(H,32,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185910
(1-ethyl-4-phenyl-piperidine-4-carboxylic acid {1-[...)Show SMILES CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C32H38ClN3O2/c1-2-35-21-17-32(18-22-35,26-10-4-3-5-11-26)31(37)34-27-15-19-36(20-16-27)24-25-9-8-12-28(23-25)38-30-14-7-6-13-29(30)33/h3-14,23,27H,2,15-22,24H2,1H3,(H,34,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185907
(CHEMBL210322 | N-{1-[3-(2-methoxy-phenoxy)-benzyl]...)Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C27H30N2O3/c1-31-25-12-5-6-13-26(25)32-24-11-7-10-22(18-24)20-29-16-14-23(15-17-29)28-27(30)19-21-8-3-2-4-9-21/h2-13,18,23H,14-17,19-20H2,1H3,(H,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50185908
(1-ethyl-4-phenyl-piperidine-4-carboxylic acid {1-[...)Show SMILES CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3OC)c2)CC1)c1ccccc1 Show InChI InChI=1S/C33H41N3O3/c1-3-35-22-18-33(19-23-35,27-11-5-4-6-12-27)32(37)34-28-16-20-36(21-17-28)25-26-10-9-13-29(24-26)39-31-15-8-7-14-30(31)38-2/h4-15,24,28H,3,16-23,25H2,1-2H3,(H,34,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185903
(1-(3-phenoxy-benzyl)-piperidine-4-carboxylic acid ...)Show InChI InChI=1S/C21H25NO3/c1-2-24-21(23)18-11-13-22(14-12-18)16-17-7-6-10-20(15-17)25-19-8-4-3-5-9-19/h3-10,15,18H,2,11-14,16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185916
(1-(3-phenoxy-benzyl)-piperidine-4-carboxylic acid ...)Show InChI InChI=1S/C21H26N2O2/c1-2-22-21(24)18-11-13-23(14-12-18)16-17-7-6-10-20(15-17)25-19-8-4-3-5-9-19/h3-10,15,18H,2,11-14,16H2,1H3,(H,22,24) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185915
(1-(4-chloro-phenyl)-cyclohexanecarboxylic acid {1-...)Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCCCC2)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C32H37ClN2O3/c1-37-29-10-3-4-11-30(29)38-28-9-7-8-24(22-28)23-35-20-16-27(17-21-35)34-31(36)32(18-5-2-6-19-32)25-12-14-26(33)15-13-25/h3-4,7-15,22,27H,2,5-6,16-21,23H2,1H3,(H,34,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185902
(1-[3-(2-methoxy-phenoxy)-benzyl]-4-[(4-phenyl-pipe...)Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)(NC(=O)C2(CCNCC2)c2ccccc2)C(O)=O)c1 Show InChI InChI=1S/C32H37N3O5/c1-39-27-12-5-6-13-28(27)40-26-11-7-8-24(22-26)23-35-20-16-32(17-21-35,30(37)38)34-29(36)31(14-18-33-19-15-31)25-9-3-2-4-10-25/h2-13,22,33H,14-21,23H2,1H3,(H,34,36)(H,37,38) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185906
(1-[3-(2-chlorophenoxy)benzyl]-4-{[(1-ethyl-4-pheny...)Show SMILES CCN1CCC(CC1)(C(=O)NC1(CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)C(O)=O)c1ccccc1 Show InChI InChI=1S/C33H38ClN3O4/c1-2-36-19-15-32(16-20-36,26-10-4-3-5-11-26)30(38)35-33(31(39)40)17-21-37(22-18-33)24-25-9-8-12-27(23-25)41-29-14-7-6-13-28(29)34/h3-14,23H,2,15-22,24H2,1H3,(H,35,38)(H,39,40) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185907
(CHEMBL210322 | N-{1-[3-(2-methoxy-phenoxy)-benzyl]...)Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C27H30N2O3/c1-31-25-12-5-6-13-26(25)32-24-11-7-10-22(18-24)20-29-16-14-23(15-17-29)28-27(30)19-21-8-3-2-4-9-21/h2-13,18,23H,14-17,19-20H2,1H3,(H,28,30) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185904
((+/-) 3-phenyl-pyrrolidine-3-carboxylic acid {1-[3...)Show SMILES Clc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNC2)c2ccccc2)c1 Show InChI InChI=1S/C29H32ClN3O2/c30-26-11-4-5-12-27(26)35-25-10-6-7-22(19-25)20-33-17-13-24(14-18-33)32-28(34)29(15-16-31-21-29)23-8-2-1-3-9-23/h1-12,19,24,31H,13-18,20-21H2,(H,32,34) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185914
(1-(3-phenoxybenzyl)piperidine-4-carboxylic acid | ...)Show InChI InChI=1S/C19H21NO3/c21-19(22)16-9-11-20(12-10-16)14-15-5-4-8-18(13-15)23-17-6-2-1-3-7-17/h1-8,13,16H,9-12,14H2,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185912
(2-(4-{1-[3-(2-chloro-phenoxy)-benzyl]-piperidin-4-...)Show SMILES CC(C)(N1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O Show InChI InChI=1S/C34H40ClN3O4/c1-33(2,32(40)41)38-21-17-34(18-22-38,26-10-4-3-5-11-26)31(39)36-27-15-19-37(20-16-27)24-25-9-8-12-28(23-25)42-30-14-7-6-13-29(30)35/h3-14,23,27H,15-22,24H2,1-2H3,(H,36,39)(H,40,41) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185911
(CHEMBL205692 | N-[1-(3-phenoxy-benzyl)-piperidin-4...)Show SMILES O=C(Cc1ccccc1)NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 Show InChI InChI=1S/C26H28N2O2/c29-26(19-21-8-3-1-4-9-21)27-23-14-16-28(17-15-23)20-22-10-7-13-25(18-22)30-24-11-5-2-6-12-24/h1-13,18,23H,14-17,19-20H2,(H,27,29) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185908
(1-ethyl-4-phenyl-piperidine-4-carboxylic acid {1-[...)Show SMILES CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3OC)c2)CC1)c1ccccc1 Show InChI InChI=1S/C33H41N3O3/c1-3-35-22-18-33(19-23-35,27-11-5-4-6-12-27)32(37)34-28-16-20-36(21-17-28)25-26-10-9-13-29(24-26)39-31-15-8-7-14-30(31)38-2/h4-15,24,28H,3,16-23,25H2,1-2H3,(H,34,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185905
(4-phenyl-piperidine-4-carboxylic acid {1-[3-(2-met...)Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNCC2)c2ccccc2)c1 Show InChI InChI=1S/C31H37N3O3/c1-36-28-12-5-6-13-29(28)37-27-11-7-8-24(22-27)23-34-20-14-26(15-21-34)33-30(35)31(16-18-32-19-17-31)25-9-3-2-4-10-25/h2-13,22,26,32H,14-21,23H2,1H3,(H,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185910
(1-ethyl-4-phenyl-piperidine-4-carboxylic acid {1-[...)Show SMILES CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C32H38ClN3O2/c1-2-35-21-17-32(18-22-35,26-10-4-3-5-11-26)31(37)34-27-15-19-36(20-16-27)24-25-9-8-12-28(23-25)38-30-14-7-6-13-29(30)33/h3-14,23,27H,2,15-22,24H2,1H3,(H,34,37) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185913
(CHEMBL381354 | N-[1-(3-phenoxy-benzyl)-piperidin-4...)Show InChI InChI=1S/C21H26N2O2/c1-2-21(24)22-18-11-13-23(14-12-18)16-17-7-6-10-20(15-17)25-19-8-4-3-5-9-19/h3-10,15,18H,2,11-14,16H2,1H3,(H,22,24) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50185909
(2-(3-((1-(3-(2-chlorophenoxy)benzyl)piperidin-4-yl...)Show SMILES CC(C)(N1CCC(C1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O Show InChI InChI=1S/C33H38ClN3O4/c1-32(2,31(39)40)37-20-17-33(23-37,25-10-4-3-5-11-25)30(38)35-26-15-18-36(19-16-26)22-24-9-8-12-27(21-24)41-29-14-7-6-13-28(29)34/h3-14,21,26H,15-20,22-23H2,1-2H3,(H,35,38)(H,39,40) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 49: 2669-72 (2006)
Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX |
More data for this
Ligand-Target Pair | |
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