Found 1555 hits with Last Name = 'cumming' and Initial = 'g' 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 |
|---|
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50073585
(CHEMBL3408945 | US10358436, Example A102 | US99078...)Show SMILES COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50073587
(CHEMBL3408947 | US10358436, Example A185 | US20230...)Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50073586
(CHEMBL3408946 | US10358436, Example A198 | US99078...)Show SMILES C[C@H]1CN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)C[C@@H](C)O1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50059171
(CHEMBL3393296)Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Competitive inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46-400) as substrate |
J Med Chem 58: 278-93 (2015)
Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50418818
(CHEMBL1796293)Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Competitive inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46-400) as substrate |
J Med Chem 58: 278-93 (2015)
Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50385474
(CHEMBL2036748)Show SMILES CN1CCCC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C18H26Cl2N4O/c1-22-6-2-3-14(12-22)13-23-7-9-24(10-8-23)18(25)21-15-4-5-16(19)17(20)11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,21,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human HEK cell membrane |
Bioorg Med Chem Lett 22: 3895-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50364748
(CHEMBL1952100)Show SMILES CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(Cl)cc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C31H43Cl2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 22: 1655-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.117
BindingDB Entry DOI: 10.7270/Q25H7GQ6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50337733
(CHEMBL1683444 | N-((2S,4S)-1-(4-(2,4-dichlorobenzy...)Show SMILES C[C@@H](C[C@@H](CS(=O)(=O)N1CCC(CC1)OCc1ccc(Cl)cc1Cl)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C22H27Cl2FN4O5S/c1-15(22-26-10-18(25)11-27-22)8-19(29(31)14-30)13-35(32,33)28-6-4-20(5-7-28)34-12-16-2-3-17(23)9-21(16)24/h2-3,9-11,14-15,19-20,31H,4-8,12-13H2,1H3/t15-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50364745
(CHEMBL1951916)Show SMILES CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(C)cc(C)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C33H49N3O5S2/c1-6-36(33(37)24-27-7-9-31(10-8-27)42(4,38)39)30-13-16-34(17-14-30)18-15-32(29-22-25(2)21-26(3)23-29)28-11-19-35(20-12-28)43(5,40)41/h7-10,21-23,28,30,32H,6,11-20,24H2,1-5H3/t32-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 22: 1655-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.117
BindingDB Entry DOI: 10.7270/Q25H7GQ6 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50364751
(CHEMBL1951908)Show SMILES CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C(F)(F)F)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C31H42F3N3O5S2/c1-3-37(30(38)23-24-9-11-28(12-10-24)43(2,39)40)27-15-18-35(19-16-27)20-17-29(25-7-5-4-6-8-25)26-13-21-36(22-14-26)44(41,42)31(32,33)34/h4-12,26-27,29H,3,13-23H2,1-2H3/t29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 22: 1655-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.117
BindingDB Entry DOI: 10.7270/Q25H7GQ6 |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50337721
(CHEMBL1683454 | N-((2S,4S)-1-(4-(4-fluoro-2-methyl...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(F)cc2C)CC1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C25H34F2N4O4S/c1-18-12-22(26)7-6-21(18)5-4-20-8-10-30(11-9-20)36(34,35)16-25(3,31(33)17-32)13-19(2)24-28-14-23(27)15-29-24/h6-7,12,14-15,17,19-20,33H,4-5,8-11,13,16H2,1-3H3/t19-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50185681
((R)-N-ethyl-N-(1-(3-(3-fluorophenyl)-3-(4-(methyls...)Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H39FN2O5S2/c1-4-35(32(36)22-24-8-12-29(13-9-24)41(2,37)38)28-16-19-34(20-17-28)21-18-31(26-6-5-7-27(33)23-26)25-10-14-30(15-11-25)42(3,39)40/h5-15,23,28,31H,4,16-22H2,1-3H3/t31-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 3533-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.089
BindingDB Entry DOI: 10.7270/Q24B30XJ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50364743
(CHEMBL1951914)Show SMILES CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C31H43F2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 22: 1655-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.117
BindingDB Entry DOI: 10.7270/Q25H7GQ6 |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50337722
(CHEMBL1683460 | N-((2S,4S)-1-(4-(2-(3,5-dimethylis...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2c(C)nsc2C)CC1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C23H34FN5O4S2/c1-16(22-25-12-20(24)13-26-22)11-23(4,29(31)15-30)14-35(32,33)28-9-7-19(8-10-28)5-6-21-17(2)27-34-18(21)3/h12-13,15-16,19,31H,5-11,14H2,1-4H3/t16-,23-/m0/s1 | 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 | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50185666
((R)-N-(1-(3-(3,5-difluorophenyl)-3-(4-(methylsulfo...)Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 22: 1655-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.117
BindingDB Entry DOI: 10.7270/Q25H7GQ6 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50185666
((R)-N-(1-(3-(3,5-difluorophenyl)-3-(4-(methylsulfo...)Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 3533-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.089
BindingDB Entry DOI: 10.7270/Q24B30XJ |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50337723
(CHEMBL1683450 | N-((2S,4S)-1-(4-(4-chloro-2-methyl...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(Cl)cc2C)CC1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C25H34ClFN4O4S/c1-18-12-22(26)7-6-21(18)5-4-20-8-10-30(11-9-20)36(34,35)16-25(3,31(33)17-32)13-19(2)24-28-14-23(27)15-29-24/h6-7,12,14-15,17,19-20,33H,4-5,8-11,13,16H2,1-3H3/t19-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50044656
(CHEMBL3353348 | US10358436, Example A35 | US990780...)Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PLK4 (unknown origin) by ELISA |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50073551
(CHEMBL3408955)Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6[C@@H](C)CN(C)C[C@H]6C)cc5)n[nH]c4c3)c2c1 |r| Show InChI InChI=1S/C34H37N5O2/c1-21-18-38(3)19-22(2)39(21)20-24-7-5-23(6-8-24)9-13-30-27-12-10-25(15-32(27)37-36-30)29-17-34(29)28-16-26(41-4)11-14-31(28)35-33(34)40/h5-16,21-22,29H,17-20H2,1-4H3,(H,35,40)(H,36,37)/b13-9+/t21-,22+,29-,34-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PLK4 (unknown origin) by ELISA |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50337724
(CHEMBL1683458 | N-((2S,4S)-1-(4-(2-(2,5-dimethylpy...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2cc(C)ncc2C)CC1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C25H36FN5O4S/c1-18(24-28-14-23(26)15-29-24)12-25(4,31(33)17-32)16-36(34,35)30-9-7-21(8-10-30)5-6-22-11-20(3)27-13-19(22)2/h11,13-15,17-18,21,33H,5-10,12,16H2,1-4H3/t18-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50364771
(CHEMBL1951913)Show SMILES CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(C)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C32H47N3O5S2/c1-5-35(32(36)24-26-9-11-30(12-10-26)41(3,37)38)29-15-18-33(19-16-29)20-17-31(28-8-6-7-25(2)23-28)27-13-21-34(22-14-27)42(4,39)40/h6-12,23,27,29,31H,5,13-22,24H2,1-4H3/t31-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 22: 1655-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.117
BindingDB Entry DOI: 10.7270/Q25H7GQ6 |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50337725
(CHEMBL1683449 | N-((2S,4S)-1-(4-(2-chloro-4-(trifl...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(cc2Cl)C(F)(F)F)CC1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C25H31ClF4N4O4S/c1-17(23-31-13-21(27)14-32-23)12-24(2,34(36)16-35)15-39(37,38)33-9-7-18(8-10-33)3-4-19-5-6-20(11-22(19)26)25(28,29)30/h5-6,11,13-14,16-18,36H,3-4,7-10,12,15H2,1-2H3/t17-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50337726
(CHEMBL1683451 | N-((2S,4S)-1-(4-(2-bromo-4-fluorop...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(F)cc2Br)CC1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C24H31BrF2N4O4S/c1-17(23-28-13-21(27)14-29-23)12-24(2,31(33)16-32)15-36(34,35)30-9-7-18(8-10-30)3-4-19-5-6-20(26)11-22(19)25/h5-6,11,13-14,16-18,33H,3-4,7-10,12,15H2,1-2H3/t17-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50337727
(CHEMBL1683457 | N-((2S,4S)-1-(4-(2,5-dimethylphene...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2cc(C)ccc2C)CC1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C26H37FN4O4S/c1-19-5-6-20(2)23(13-19)8-7-22-9-11-30(12-10-22)36(34,35)17-26(4,31(33)18-32)14-21(3)25-28-15-24(27)16-29-25/h5-6,13,15-16,18,21-22,33H,7-12,14,17H2,1-4H3/t21-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50337736
(CHEMBL1683455 | N-((2S,4S)-4-(5-fluoropyrimidin-2-...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(cc2C)C(F)(F)F)CC1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C26H34F4N4O4S/c1-18-12-22(26(28,29)30)7-6-21(18)5-4-20-8-10-33(11-9-20)39(37,38)16-25(3,34(36)17-35)13-19(2)24-31-14-23(27)15-32-24/h6-7,12,14-15,17,19-20,36H,4-5,8-11,13,16H2,1-3H3/t19-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
ATP-dependent RNA helicase RhlE
(Plasmodium falciparum (malaria parasite P. falcipa...) | BDBM13307
(1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...)Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1 Show InChI InChI=1S/C25H27N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h3-11,15,18-20H,12-13,16-17H2,1-2H3 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Duke University Medical Center
| Assay Description
Assays for PfPFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). An amount of 1 uM ... |
Chem Biol 16: 181-92 (2009)
Article DOI: 10.1016/j.chembiol.2009.01.014
BindingDB Entry DOI: 10.7270/Q22F7KR8 |
More data for this
Ligand-Target Pair | |
ATP-dependent RNA helicase RhlE
(Plasmodium falciparum (malaria parasite P. falcipa...) | BDBM13307
(1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...)Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1 Show InChI InChI=1S/C25H27N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h3-11,15,18-20H,12-13,16-17H2,1-2H3 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Yale University
| Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal... |
J Med Chem 49: 5710-27 (2006)
Article DOI: 10.1021/jm060081v
BindingDB Entry DOI: 10.7270/Q2G44NJW |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50337731
(CHEMBL1683453 | N-((2S,4S)-1-(4-(4-fluoro-2-(trifl...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(F)cc2C(F)(F)F)CC1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C25H31F5N4O4S/c1-17(23-31-13-21(27)14-32-23)12-24(2,34(36)16-35)15-39(37,38)33-9-7-18(8-10-33)3-4-19-5-6-20(26)11-22(19)25(28,29)30/h5-6,11,13-14,16-18,36H,3-4,7-10,12,15H2,1-2H3/t17-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50364746
(CHEMBL1951917)Show SMILES CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C31H44ClN3O5S2/c1-4-35(31(36)22-24-8-10-29(11-9-24)41(2,37)38)28-14-17-33(18-15-28)19-16-30(26-6-5-7-27(32)23-26)25-12-20-34(21-13-25)42(3,39)40/h5-11,23,25,28,30H,4,12-22H2,1-3H3/t30-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 22: 1655-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.117
BindingDB Entry DOI: 10.7270/Q25H7GQ6 |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50337734
(CHEMBL1683464 | N-((2S,4S)-1-(4-(2-chloro-4-(methy...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(cc2Cl)S(C)(=O)=O)CC1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C25H34ClFN4O6S2/c1-18(24-28-14-21(27)15-29-24)13-25(2,31(33)17-32)16-39(36,37)30-10-8-19(9-11-30)4-5-20-6-7-22(12-23(20)26)38(3,34)35/h6-7,12,14-15,17-19,33H,4-5,8-11,13,16H2,1-3H3/t18-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
ATP-dependent RNA helicase RhlE
(Plasmodium falciparum (malaria parasite P. falcipa...) | BDBM13311
(1-Methyl-1H-imidazole-4-sulfonic Acid {2-[(4-Cyano...)Show SMILES Cc1ccccc1CN(CCN(Cc1cncn1C)c1ccc(cc1)C#N)S(=O)(=O)c1cn(C)cn1 Show InChI InChI=1S/C26H29N7O2S/c1-21-6-4-5-7-23(21)16-33(36(34,35)26-18-30(2)20-29-26)13-12-32(17-25-15-28-19-31(25)3)24-10-8-22(14-27)9-11-24/h4-11,15,18-20H,12-13,16-17H2,1-3H3 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Yale University
| Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal... |
J Med Chem 49: 5710-27 (2006)
Article DOI: 10.1021/jm060081v
BindingDB Entry DOI: 10.7270/Q2G44NJW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50073584
(CHEMBL3408944 | US10358436, Example A59 | US990780...)Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCCCC6)cc5)n[nH]c4c3)c2c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PLK4 (unknown origin) by ELISA |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50073550
(CHEMBL3408954)Show SMILES C[C@H]1CN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)C[C@@H](C)N1C |r| Show InChI InChI=1S/C33H35N5O/c1-21-18-38(19-22(2)37(21)3)20-24-10-8-23(9-11-24)12-15-29-26-14-13-25(16-31(26)36-35-29)28-17-33(28)27-6-4-5-7-30(27)34-32(33)39/h4-16,21-22,28H,17-20H2,1-3H3,(H,34,39)(H,35,36)/b15-12+/t21-,22+,28-,33-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PLK4 (unknown origin) by ELISA |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50364770
(CHEMBL1951912)Show SMILES CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C31H44FN3O5S2/c1-4-35(31(36)22-24-8-10-29(11-9-24)41(2,37)38)28-14-17-33(18-15-28)19-16-30(26-6-5-7-27(32)23-26)25-12-20-34(21-13-25)42(3,39)40/h5-11,23,25,28,30H,4,12-22H2,1-3H3/t30-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 22: 1655-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.117
BindingDB Entry DOI: 10.7270/Q25H7GQ6 |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50337739
(CHEMBL1683461 | N-((2S,4S)-1-(4-(2-(4,6-dimethylpy...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2cnc(C)cc2C)CC1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C25H36FN5O4S/c1-18-11-20(3)27-13-22(18)6-5-21-7-9-30(10-8-21)36(34,35)16-25(4,31(33)17-32)12-19(2)24-28-14-23(26)15-29-24/h11,13-15,17,19,21,33H,5-10,12,16H2,1-4H3/t19-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50337735
(CHEMBL1615187 | N-[(2S,4S)-1-({4-[2-(3,5-dimethyl-...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2c(C)noc2C)CC1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C23H34FN5O5S/c1-16(22-25-12-20(24)13-26-22)11-23(4,29(31)15-30)14-35(32,33)28-9-7-19(8-10-28)5-6-21-17(2)27-34-18(21)3/h12-13,15-16,19,31H,5-11,14H2,1-4H3/t16-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50364743
(CHEMBL1951914)Show SMILES CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C31H43F2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 in allo T cells assessed as inhibition of MIP-1beta-induced chemotaxis |
Bioorg Med Chem Lett 22: 1655-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.117
BindingDB Entry DOI: 10.7270/Q25H7GQ6 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50364744
(CHEMBL1951915)Show SMILES CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(F)cc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C31H43ClFN3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 22: 1655-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.117
BindingDB Entry DOI: 10.7270/Q25H7GQ6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50044665
(CHEMBL3353341 | US10358436, Example A33 | US990780...)Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PLK4 (unknown origin) by ELISA |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50185673
((S)-N-ethyl-2-(4-(methylsulfonyl)phenyl)-N-(1-(3-(...)Show SMILES CCN(C1CCN(CC[C@@H](c2ccccc2)c2ccc(cc2)S(C)(=O)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H40N2O5S2/c1-4-34(32(35)24-25-10-14-29(15-11-25)40(2,36)37)28-18-21-33(22-19-28)23-20-31(26-8-6-5-7-9-26)27-12-16-30(17-13-27)41(3,38)39/h5-17,28,31H,4,18-24H2,1-3H3/t31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 3533-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.089
BindingDB Entry DOI: 10.7270/Q24B30XJ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50073555
(CHEMBL3408941 | US10358436, Example A92 | US990780...)Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(cc3)N3CCNCC3)n[nH]c2c1 |r| Show InChI InChI=1S/C29H27N5O/c35-28-29(23-3-1-2-4-26(23)31-28)18-24(29)20-8-11-22-25(32-33-27(22)17-20)12-7-19-5-9-21(10-6-19)34-15-13-30-14-16-34/h1-12,17,24,30H,13-16,18H2,(H,31,35)(H,32,33)/b12-7+/t24-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PLK4 (unknown origin) by ELISA |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50044667
(CHEMBL3353362 | US10358436, Example A58 | US990780...)Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCCCC4)cc3)n[nH]c2c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PLK4 (unknown origin) by ELISA |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50044662
(CHEMBL3353361 | US10358436, Example A61 | US990780...)Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCCC4)cc3)n[nH]c2c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PLK4 (unknown origin) by ELISA |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50337743
(CHEMBL1683456 | N-((2S,4S)-1-(4-(2-cyclopropyl-4-(...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(cc2C2CC2)C(F)(F)F)CC1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C28H36F4N4O4S/c1-19(26-33-15-24(29)16-34-26)14-27(2,36(38)18-37)17-41(39,40)35-11-9-20(10-12-35)3-4-21-7-8-23(28(30,31)32)13-25(21)22-5-6-22/h7-8,13,15-16,18-20,22,38H,3-6,9-12,14,17H2,1-2H3/t19-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50185670
((R)-N-(1-(3-(3-chlorophenyl)-3-(4-(methylsulfonyl)...)Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H39ClN2O5S2/c1-4-35(32(36)22-24-8-12-29(13-9-24)41(2,37)38)28-16-19-34(20-17-28)21-18-31(26-6-5-7-27(33)23-26)25-10-14-30(15-11-25)42(3,39)40/h5-15,23,28,31H,4,16-22H2,1-3H3/t31-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 3533-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.089
BindingDB Entry DOI: 10.7270/Q24B30XJ |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50337733
(CHEMBL1683444 | N-((2S,4S)-1-(4-(2,4-dichlorobenzy...)Show SMILES C[C@@H](C[C@@H](CS(=O)(=O)N1CCC(CC1)OCc1ccc(Cl)cc1Cl)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C22H27Cl2FN4O5S/c1-15(22-26-10-18(25)11-27-22)8-19(29(31)14-30)13-35(32,33)28-6-4-20(5-7-28)34-12-16-2-3-17(23)9-21(16)24/h2-3,9-11,14-15,19-20,31H,4-8,12-13H2,1H3/t15-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036
BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50044657
(CHEMBL3353347 | US10358436, Example A24 | US990780...)Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PLK4 (unknown origin) by ELISA |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50185667
((R)-N-(1-(3-(3-chloro-5-fluorophenyl)-3-(4-(methyl...)Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H38ClFN2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 3533-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.089
BindingDB Entry DOI: 10.7270/Q24B30XJ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50364750
(CHEMBL1951906)Show SMILES CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C31H45N3O5S2/c1-4-34(31(35)24-25-10-12-29(13-11-25)40(2,36)37)28-16-19-32(20-17-28)21-18-30(26-8-6-5-7-9-26)27-14-22-33(23-15-27)41(3,38)39/h5-13,27-28,30H,4,14-24H2,1-3H3/t30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells |
Bioorg Med Chem Lett 22: 1655-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.117
BindingDB Entry DOI: 10.7270/Q25H7GQ6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50044657
(CHEMBL3353347 | US10358436, Example A24 | US990780...)Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PLK4 (unknown origin) by ELISA |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
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