Found 3316 hits with Last Name = 'jenkins' and Initial = 't' 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)) | BDBM50203905
(4-(4-benzoylamino-naphthalene-1-sulfonylamino)-pip...)Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H27N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-12-22(20-10-6-7-11-21(20)23)26-24(29)18-8-4-3-5-9-18/h3-13,19,27H,2,14-17H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203831
(CHEMBL374939 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...)Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12 Show InChI InChI=1S/C27H31N3O4S/c1-3-8-26(31)30-17-15-20(16-18-30)29-35(33,34)25-14-13-24(22-11-6-7-12-23(22)25)28-27(32)21-10-5-4-9-19(21)2/h4-7,9-14,20,29H,3,8,15-18H2,1-2H3,(H,28,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203834
(2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]p...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1 Show InChI InChI=1S/C28H32N4O4S/c1-19-7-2-3-8-21(19)27(33)30-24-12-13-26(23-10-5-4-9-22(23)24)37(35,36)31-20-14-17-32(18-15-20)28(34)25-11-6-16-29-25/h2-5,7-10,12-13,20,25,29,31H,6,11,14-18H2,1H3,(H,30,33)/t25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203834
(2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]p...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1 Show InChI InChI=1S/C28H32N4O4S/c1-19-7-2-3-8-21(19)27(33)30-24-12-13-26(23-10-5-4-9-22(23)24)37(35,36)31-20-14-17-32(18-15-20)28(34)25-11-6-16-29-25/h2-5,7-10,12-13,20,25,29,31H,6,11,14-18H2,1H3,(H,30,33)/t25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203832
(4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfony...)Show SMILES CNC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12 Show InChI InChI=1S/C25H28N4O4S/c1-17-7-3-4-8-19(17)24(30)27-22-11-12-23(21-10-6-5-9-20(21)22)34(32,33)28-18-13-15-29(16-14-18)25(31)26-2/h3-12,18,28H,13-16H2,1-2H3,(H,26,31)(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM16127
(2,2 -methanediylbis(1H-benzimidazole-6-carboximida...)Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1 Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1 | -50.9 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris
| Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... |
Nature 391: 608-12 (1998)
Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50176251
(2-((6-chloro-1H-benzo[d]imidazol-2-yl)methyl)-1H-b...)Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(Cl)cc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H13ClN6/c17-9-2-4-11-13(6-9)23-15(21-11)7-14-20-10-3-1-8(16(18)19)5-12(10)22-14/h1-6H,7H2,(H3,18,19)(H,20,22)(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to FXa in presence of Zn2+ |
Bioorg Med Chem Lett 16: 710-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50176252
(2-((6-fluoro-1H-benzo[d]imidazol-2-yl)methyl)-1H-b...)Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(F)cc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H13FN6/c17-9-2-4-11-13(6-9)23-15(21-11)7-14-20-10-3-1-8(16(18)19)5-12(10)22-14/h1-6H,7H2,(H3,18,19)(H,20,22)(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to FXa in presence of Zn2+ |
Bioorg Med Chem Lett 16: 710-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM16303
(2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...)Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to thrombin in presence of Zn2+ |
Bioorg Med Chem Lett 16: 710-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM16303
(2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...)Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to FXa in presence of Zn2+ |
Bioorg Med Chem Lett 16: 710-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203919
(2-methyl-N-[4-({[1-(pyrrolidin-1-ylcarbonyl)piperi...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C28H32N4O4S/c1-20-8-2-3-9-22(20)27(33)29-25-12-13-26(24-11-5-4-10-23(24)25)37(35,36)30-21-14-18-32(19-15-21)28(34)31-16-6-7-17-31/h2-5,8-13,21,30H,6-7,14-19H2,1H3,(H,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203914
(CHEMBL375854 | N-[4-({[1-(azetidin-3-ylcarbonyl)pi...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)C1CNC1 Show InChI InChI=1S/C27H30N4O4S/c1-18-6-2-3-7-21(18)26(32)29-24-10-11-25(23-9-5-4-8-22(23)24)36(34,35)30-20-12-14-31(15-13-20)27(33)19-16-28-17-19/h2-11,19-20,28,30H,12-17H2,1H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203920
(CHEMBL221867 | N-{4-[1-(4-amino-butyryl)-piperidin...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)CCCN Show InChI InChI=1S/C27H32N4O4S/c1-19-7-2-3-8-21(19)27(33)29-24-12-13-25(23-10-5-4-9-22(23)24)36(34,35)30-20-14-17-31(18-15-20)26(32)11-6-16-28/h2-5,7-10,12-13,20,30H,6,11,14-18,28H2,1H3,(H,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203871
(4-({[4-(benzoylamino)-1-naphthyl]sulfonyl}amino)-N...)Show SMILES CN(C)C(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12 Show InChI InChI=1S/C26H30N4O4S/c1-18-8-4-5-9-20(18)25(31)27-23-12-13-24(22-11-7-6-10-21(22)23)35(33,34)28-19-14-16-30(17-15-19)26(32)29(2)3/h4-13,19,28H,14-17H2,1-3H3,(H,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203881
(4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfony...)Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12 Show InChI InChI=1S/C26H29N3O5S/c1-3-34-26(31)29-16-14-19(15-17-29)28-35(32,33)24-13-12-23(21-10-6-7-11-22(21)24)27-25(30)20-9-5-4-8-18(20)2/h4-13,19,28H,3,14-17H2,1-2H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50176257
(2-((5,6-dimethyl-1H-benzo[d]imidazol-2-yl)methyl)-...)Show SMILES Cc1cc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2cc1C Show InChI InChI=1S/C18H18N6/c1-9-5-13-14(6-10(9)2)23-17(22-13)8-16-21-12-4-3-11(18(19)20)7-15(12)24-16/h3-7H,8H2,1-2H3,(H3,19,20)(H,21,24)(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to FXa in presence of Zn2+ |
Bioorg Med Chem Lett 16: 710-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203859
(4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfony...)Show SMILES CCNC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12 Show InChI InChI=1S/C26H30N4O4S/c1-3-27-26(32)30-16-14-19(15-17-30)29-35(33,34)24-13-12-23(21-10-6-7-11-22(21)24)28-25(31)20-9-5-4-8-18(20)2/h4-13,19,29H,3,14-17H2,1-2H3,(H,27,32)(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203857
(CHEMBL218037 | ethyl 4-({[5-(benzoylamino)-1-napht...)Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1cccc2c(NC(=O)c3ccccc3)cccc12 Show InChI InChI=1S/C25H27N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-7-10-20-21(23)11-6-12-22(20)26-24(29)18-8-4-3-5-9-18/h3-13,19,27H,2,14-17H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203900
(2-methyl-N-[4-(1-propionyl-piperidin-4-ylsulfamoyl...)Show SMILES CCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12 Show InChI InChI=1S/C26H29N3O4S/c1-3-25(30)29-16-14-19(15-17-29)28-34(32,33)24-13-12-23(21-10-6-7-11-22(21)24)27-26(31)20-9-5-4-8-18(20)2/h4-13,19,28H,3,14-17H2,1-2H3,(H,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50176254
(2-((5,7-dichloro-1H-benzo[d]imidazol-2-yl)methyl)-...)Show SMILES NC(=N)c1ccc2nc(Cc3nc4cc(Cl)cc(Cl)c4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H12Cl2N6/c17-8-4-9(18)15-12(5-8)23-14(24-15)6-13-21-10-2-1-7(16(19)20)3-11(10)22-13/h1-5H,6H2,(H3,19,20)(H,21,22)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to FXa in presence of Zn2+ |
Bioorg Med Chem Lett 16: 710-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50176250
(2-((5-fluoro-7-methoxy-1H-benzo[d]imidazol-2-yl)me...)Show SMILES COc1cc(F)cc2[nH]c(Cc3nc4ccc(cc4[nH]3)C(N)=N)nc12 Show InChI InChI=1S/C17H15FN6O/c1-25-13-6-9(18)5-12-16(13)24-15(23-12)7-14-21-10-3-2-8(17(19)20)4-11(10)22-14/h2-6H,7H2,1H3,(H3,19,20)(H,21,22)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to FXa in presence of Zn2+ |
Bioorg Med Chem Lett 16: 710-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203853
(CHEMBL221130 | N-{4-[1-(azetidine-1-carbonyl)-pipe...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)N1CCC1 Show InChI InChI=1S/C27H30N4O4S/c1-19-7-2-3-8-21(19)26(32)28-24-11-12-25(23-10-5-4-9-22(23)24)36(34,35)29-20-13-17-31(18-14-20)27(33)30-15-6-16-30/h2-5,7-12,20,29H,6,13-18H2,1H3,(H,28,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203849
(CHEMBL221904 | N-{4-[1-(2-amino-acetyl)-piperidin-...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)CN Show InChI InChI=1S/C25H28N4O4S/c1-17-6-2-3-7-19(17)25(31)27-22-10-11-23(21-9-5-4-8-20(21)22)34(32,33)28-18-12-14-29(15-13-18)24(30)16-26/h2-11,18,28H,12-16,26H2,1H3,(H,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203882
(2-methyl-N-{4-[1-(4-methyl-piperazine-1-carbonyl)-...)Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12 Show InChI InChI=1S/C29H35N5O4S/c1-21-7-3-4-8-23(21)28(35)30-26-11-12-27(25-10-6-5-9-24(25)26)39(37,38)31-22-13-15-33(16-14-22)29(36)34-19-17-32(2)18-20-34/h3-12,22,31H,13-20H2,1-2H3,(H,30,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203850
(2-methyl-N-{4-[1-(piperidine-1-carbonyl)-piperidin...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)N1CCCCC1 Show InChI InChI=1S/C29H34N4O4S/c1-21-9-3-4-10-23(21)28(34)30-26-13-14-27(25-12-6-5-11-24(25)26)38(36,37)31-22-15-19-33(20-16-22)29(35)32-17-7-2-8-18-32/h3-6,9-14,22,31H,2,7-8,15-20H2,1H3,(H,30,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203837
(CHEMBL218503 | N-(4-cyclohexylsulfamoyl-naphthalen...)Show SMILES O=C(Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCCCC1)c1ccccc1 Show InChI InChI=1S/C23H24N2O3S/c26-23(17-9-3-1-4-10-17)24-21-15-16-22(20-14-8-7-13-19(20)21)29(27,28)25-18-11-5-2-6-12-18/h1,3-4,7-10,13-16,18,25H,2,5-6,11-12H2,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
Tryptase beta-2
(Homo sapiens (Human)) | BDBM16127
(2,2 -methanediylbis(1H-benzimidazole-6-carboximida...)Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1 Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 5 | -46.9 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris
| Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... |
Nature 391: 608-12 (1998)
Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM16304
(2-(1H-1,3-benzodiazol-2-ylcarbonyl)-1H-1,3-benzodi...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)C(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C16H12N6O/c17-14(18)8-5-6-11-12(7-8)22-16(21-11)13(23)15-19-9-3-1-2-4-10(9)20-15/h1-7H,(H3,17,18)(H,19,20)(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | -46.8 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris
| Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... |
Nature 391: 608-12 (1998)
Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203866
(4-(4-o-tolylcarbamoyl-naphthalene-1-sulfonylamino)...)Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C)c2ccccc12 Show InChI InChI=1S/C26H29N3O5S/c1-3-34-26(31)29-16-14-19(15-17-29)28-35(32,33)24-13-12-22(20-9-5-6-10-21(20)24)25(30)27-23-11-7-4-8-18(23)2/h4-13,19,28H,3,14-17H2,1-2H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203878
(CHEMBL218036 | N-{4-[1-(2-hydroxy-acetyl)-piperidi...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)CO Show InChI InChI=1S/C25H27N3O5S/c1-17-6-2-3-7-19(17)25(31)26-22-10-11-23(21-9-5-4-8-20(21)22)34(32,33)27-18-12-14-28(15-13-18)24(30)16-29/h2-11,18,27,29H,12-16H2,1H3,(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM16303
(2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...)Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 5.60 | -46.6 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris
| Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... |
Nature 391: 608-12 (1998)
Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50176255
(2-((5,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)-...)Show SMILES NC(=N)c1ccc2nc(Cc3nc4c(F)cc(F)cc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H12F2N6/c17-8-4-9(18)15-12(5-8)23-14(24-15)6-13-21-10-2-1-7(16(19)20)3-11(10)22-13/h1-5H,6H2,(H3,19,20)(H,21,22)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to FXa in presence of Zn2+ |
Bioorg Med Chem Lett 16: 710-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50176256
(2-((5,6-difluoro-1H-benzo[d]imidazol-2-yl)methyl)-...)Show SMILES NC(=N)c1ccc2nc(Cc3nc4cc(F)c(F)cc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H12F2N6/c17-8-4-12-13(5-9(8)18)24-15(23-12)6-14-21-10-2-1-7(16(19)20)3-11(10)22-14/h1-5H,6H2,(H3,19,20)(H,21,22)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to FXa in presence of Zn2+ |
Bioorg Med Chem Lett 16: 710-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ |
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
| 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)) | BDBM50203875
(2-methyl-N-[4-({[1-(morpholin-4-ylcarbonyl)piperid...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H32N4O5S/c1-20-6-2-3-7-22(20)27(33)29-25-10-11-26(24-9-5-4-8-23(24)25)38(35,36)30-21-12-14-31(15-13-21)28(34)32-16-18-37-19-17-32/h2-11,21,30H,12-19H2,1H3,(H,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203910
(CHEMBL221977 | N-(4-{[(1-acetylpiperidin-4-yl)amin...)Show SMILES CC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12 Show InChI InChI=1S/C25H27N3O4S/c1-17-7-3-4-8-20(17)25(30)26-23-11-12-24(22-10-6-5-9-21(22)23)33(31,32)27-19-13-15-28(16-14-19)18(2)29/h3-12,19,27H,13-16H2,1-2H3,(H,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203925
(CHEMBL374979 | N-[4-(1-cyclopropanecarbonyl-piperi...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C27H29N3O4S/c1-18-6-2-3-7-21(18)26(31)28-24-12-13-25(23-9-5-4-8-22(23)24)35(33,34)29-20-14-16-30(17-15-20)27(32)19-10-11-19/h2-9,12-13,19-20,29H,10-11,14-17H2,1H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
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
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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)) | BDBM50203921
(CHEMBL219433 | N-[4-(1-cyclopentanecarbonyl-piperi...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C29H33N3O4S/c1-20-8-2-5-11-23(20)28(33)30-26-14-15-27(25-13-7-6-12-24(25)26)37(35,36)31-22-16-18-32(19-17-22)29(34)21-9-3-4-10-21/h2,5-8,11-15,21-22,31H,3-4,9-10,16-19H2,1H3,(H,30,33) | PDB
Reactome pathway
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PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203917
(4-(4-cyclohexylcarbamoyl-naphthalene-1-sulfonylami...)Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(C(=O)NC2CCCCC2)c2ccccc12 Show InChI InChI=1S/C25H33N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-12-22(20-10-6-7-11-21(20)23)24(29)26-18-8-4-3-5-9-18/h6-7,10-13,18-19,27H,2-5,8-9,14-17H2,1H3,(H,26,29) | PDB
Reactome pathway
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| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
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
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| 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)) | BDBM50203911
(CHEMBL220703 | N-{4-[1-(3-amino-propionyl)-piperid...)Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)CCN Show InChI InChI=1S/C26H30N4O4S/c1-18-6-2-3-7-20(18)26(32)28-23-10-11-24(22-9-5-4-8-21(22)23)35(33,34)29-19-13-16-30(17-14-19)25(31)12-15-27/h2-11,19,29H,12-17,27H2,1H3,(H,28,32) | PDB
Reactome pathway
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| 11.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
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
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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)) | BDBM50203865
(4-(4-benzoylamino-naphthalene-1-sulfonylamino)-pip...)Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C27H31N3O5S/c1-27(2,3)35-26(32)30-17-15-20(16-18-30)29-36(33,34)24-14-13-23(21-11-7-8-12-22(21)24)28-25(31)19-9-5-4-6-10-19/h4-14,20,29H,15-18H2,1-3H3,(H,28,31) | PDB
Reactome pathway
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| 15.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203855
(CHEMBL221961 | N-{4-[1-(2-methoxy-acetyl)-piperidi...)Show SMILES COCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12 Show InChI InChI=1S/C26H29N3O5S/c1-18-7-3-4-8-20(18)26(31)27-23-11-12-24(22-10-6-5-9-21(22)23)35(32,33)28-19-13-15-29(16-14-19)25(30)17-34-2/h3-12,19,28H,13-17H2,1-2H3,(H,27,31) | PDB
Reactome pathway
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| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50203889
(CHEMBL426207 | ethyl 4-({[4-(benzoyloxy)-1-naphthy...)Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(OC(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H26N2O6S/c1-2-32-25(29)27-16-14-19(15-17-27)26-34(30,31)23-13-12-22(20-10-6-7-11-21(20)23)33-24(28)18-8-4-3-5-9-18/h3-13,19,26H,2,14-17H2,1H3 | PDB
Reactome pathway
KEGG
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| 16.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
J Med Chem 50: 566-84 (2007)
Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN |
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
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| 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 | |
Prothrombin
(Homo sapiens (Human)) | BDBM16127
(2,2 -methanediylbis(1H-benzimidazole-6-carboximida...)Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1 Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25) | PDB
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Article
PubMed
| 23 | -43.2 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris
| Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... |
Nature 391: 608-12 (1998)
Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM16305
(2-(1H-imidazol-2-ylmethyl)-1H-1,3-benzodiazole-6-c...)Show InChI InChI=1S/C12H12N6/c13-12(14)7-1-2-8-9(5-7)18-11(17-8)6-10-15-3-4-16-10/h1-5H,6H2,(H3,13,14)(H,15,16)(H,17,18) | PDB
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| 23.1 | -43.1 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris
| Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... |
Nature 391: 608-12 (1998)
Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM16303
(2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...)Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22) | PDB
MMDB
Reactome pathway
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| 23.5 | -43.1 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris
| Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... |
Nature 391: 608-12 (1998)
Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9 |
More data for this
Ligand-Target Pair | |
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