Found 289 hits with Last Name = 'pinder' and Initial = 'jl' 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 ATR
(Homo sapiens (Human)) | BDBM50341751
(3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfon...)Show SMILES CC(CN(C)C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length recombinant ATR Morrison equation analysis |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341750
(3-amino-6-(4-(tert-butylsulfonyl)phenyl)-N-phenylp...)Show SMILES CC(C)(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C21H22N4O3S/c1-21(2,3)29(27,28)16-11-9-14(10-12-16)17-13-23-19(22)18(25-17)20(26)24-15-7-5-4-6-8-15/h4-13H,1-3H3,(H2,22,23)(H,24,26) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341747
(3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpy...)Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H20N4O3S/c1-13(2)28(26,27)16-10-8-14(9-11-16)17-12-22-19(21)18(24-17)20(25)23-15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,21,22)(H,23,25) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341752
(3-amino-6-(4-((4-hydroxybutan-2-yl)sulfonyl)phenyl...)Show SMILES CC(CCO)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C21H22N4O4S/c1-14(11-12-26)30(28,29)17-9-7-15(8-10-17)18-13-23-20(22)19(25-18)21(27)24-16-5-3-2-4-6-16/h2-10,13-14,26H,11-12H2,1H3,(H2,22,23)(H,24,27) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656485
((2R,3S,4S,5R)-4-[[3-[2-(difluoromethoxy)-3,4-diflu...)Show SMILES C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(F)c1OC(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656561
(US11919887, Compound 116 | US11919887, Compound 93...)Show SMILES CC[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(F)c1OC | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656562
(US11919887, Compound 94)Show SMILES COc1c(F)c(F)ccc1[C@@H]1[C@H](O[C@@](C)([C@@H]1C1CC1)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656493
((2R,3S,4S,5R)-4-[[3-(3,4-difluoro-2-methoxy-phenyl...)Show SMILES COc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1cc[n+]([O-])c(c1)C(N)=O)C(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656557
(US11919887, Compound 89 | rel-(2S,3R,4R,5S)-4-[[3-...)Show SMILES CC(C)Oc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656561
(US11919887, Compound 116 | US11919887, Compound 93...)Show SMILES CC[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(F)c1OC | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656524
((2R,3S,4S,5R)-4-[[3-(2-ethoxy-3,4-difluoro-phenyl)...)Show SMILES CCOc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1cc[n+]([O-])c(c1)C(N)=O)C(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656491
(US11919887, Compound 17 | US11919887, Compound 53 ...)Show SMILES C[C@@H]1[C@@H]([C@H](O[C@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(C)c1OC(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656521
(US11919887, Compound 52 | rel-(2R,3S,4S,5R)-N-(3-c...)Show SMILES C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1cccc(c1)C(N)=O)c1ccc(F)c(F)c1OC(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656516
(US11919887, Compound 44 | rel-(2R,3S,4S,5R)-4-[[3-...)Show SMILES COc1c(ccc(F)c1C(F)F)[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656506
(US11919887, Compound 32 | rel-(2R,3S,4S,5R)-N-(3-c...)Show SMILES C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1ccc(F)c(c1)C(N)=O)c1ccc(F)cc1OC(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656481
((2R,3S,4S,5R)-4-[[3-(3,4-difluoro-2-methoxy-phenyl...)Show SMILES COc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656499
(US11919887, Compound 25 | rel-(2R,3S,4S,5R)-4-[[3-...)Show SMILES COc1c(F)c(F)ccc1C1[C@@H](C)[C@H](O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656493
((2R,3S,4S,5R)-4-[[3-(3,4-difluoro-2-methoxy-phenyl...)Show SMILES COc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1cc[n+]([O-])c(c1)C(N)=O)C(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656492
((2R,3S,4S,5R)-4-[[3-[2-(difluoromethoxy)-3,4-diflu...)Show SMILES C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1cc[n+]([O-])c(c1)C(N)=O)c1ccc(F)c(F)c1OC(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656491
(US11919887, Compound 17 | US11919887, Compound 53 ...)Show SMILES C[C@@H]1[C@@H]([C@H](O[C@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(C)c1OC(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656489
(US11919887, Compound 15 | rel-(2S,3R,4R,5S)-N-(3-)Show SMILES C[C@@H]1[C@@H]([C@H](O[C@]1(C)C(F)(F)F)C(=O)Nc1ccc(F)c(c1)C(N)=O)c1ccc(F)c(F)c1OC(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656485
((2R,3S,4S,5R)-4-[[3-[2-(difluoromethoxy)-3,4-diflu...)Show SMILES C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)c(F)c1OC(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656483
((2R,3S,4S,5R)-4-[[3-(2-ethoxy-3,4-difluoro-phenyl)...)Show SMILES CCOc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341749
(3-amino-6-(4-(sec-butylsulfonyl)phenyl)-N-phenylpy...)Show SMILES CCC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C21H22N4O3S/c1-3-14(2)29(27,28)17-11-9-15(10-12-17)18-13-23-20(22)19(25-18)21(26)24-16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H2,22,23)(H,24,26) | PDB
Reactome pathway
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341753
((R)-3-amino-N-phenyl-6-(4-((tetrahydrofuran-3-yl)s...)Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC1 |r| Show InChI InChI=1S/C21H20N4O4S/c22-20-19(21(26)24-15-4-2-1-3-5-15)25-18(12-23-20)14-6-8-16(9-7-14)30(27,28)17-10-11-29-13-17/h1-9,12,17H,10-11,13H2,(H2,22,23)(H,24,26)/t17-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656477
(US11919887, Compound 3b | rel-(2S,3R,4R,5S)-4-[[3-...)Show SMILES COc1cc(F)ccc1[C@H]1[C@@H](C)[C@](C)(O[C@@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656481
((2R,3S,4S,5R)-4-[[3-(3,4-difluoro-2-methoxy-phenyl...)Show SMILES COc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341751
(3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfon...)Show SMILES CC(CN(C)C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341746
(3-amino-6-(4-(ethylsulfonyl)phenyl)-N-phenylpyrazi...)Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H18N4O3S/c1-2-27(25,26)15-10-8-13(9-11-15)16-12-21-18(20)17(23-16)19(24)22-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21)(H,22,24) | PDB
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Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50208517
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | PDB
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Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341748
(3-amino-N-phenyl-6-(4-(propylsulfonyl)phenyl)pyraz...)Show SMILES CCCS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H20N4O3S/c1-2-12-28(26,27)16-10-8-14(9-11-16)17-13-22-19(21)18(24-17)20(25)23-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H2,21,22)(H,23,25) | PDB
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Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM489325
(3-(benzo[d]thiazol-2-yl)-5-(4-(methylsulfonyl)phen...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2s1 Show InChI InChI=1S/C18H14N4O2S2/c1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18/h2-10H,1H3,(H2,19,20) | PDB
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Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341758
(3-(1H-indol-2-yl)-5-(4-(methylsulfonyl)phenyl)pyra...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C19H16N4O2S/c1-26(24,25)14-8-6-12(7-9-14)17-11-21-19(20)18(23-17)16-10-13-4-2-3-5-15(13)22-16/h2-11,22H,1H3,(H2,20,21) | PDB
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Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341719
(3-amino-6-(2-cyanophenyl)-N-phenylpyrazine-2-carbo...)Show InChI InChI=1S/C18H13N5O/c19-10-12-6-4-5-9-14(12)15-11-21-17(20)16(23-15)18(24)22-13-7-2-1-3-8-13/h1-9,11H,(H2,20,21)(H,22,24) | PDB
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Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341733
(3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyraz...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23) | PDB
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Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341743
(3-amino-N-phenyl-6-(4-(piperidine-1-carbonyl)pheny...)Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCCCC1 Show InChI InChI=1S/C23H23N5O2/c24-21-20(22(29)26-18-7-3-1-4-8-18)27-19(15-25-21)16-9-11-17(12-10-16)23(30)28-13-5-2-6-14-28/h1,3-4,7-12,15H,2,5-6,13-14H2,(H2,24,25)(H,26,29) | PDB
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Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341755
(3-(1H-benzo[d]imidazol-2-yl)-5-(4-(methylsulfonyl)...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H15N5O2S/c1-26(24,25)12-8-6-11(7-9-12)15-10-20-17(19)16(21-15)18-22-13-4-2-3-5-14(13)23-18/h2-10H,1H3,(H2,19,20)(H,22,23) | PDB
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Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341756
(3-(benzoxazol-2-yl)-5-(4-(methylsulfonyl)phenyl)py...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2o1 Show InChI InChI=1S/C18H14N4O3S/c1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18/h2-10H,1H3,(H2,19,20) | PDB
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Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341744
(3-amino-6-(3-chloro-4-(dimethylcarbamoyl)phenyl)-N...)Show SMILES CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H18ClN5O2/c1-26(2)20(28)14-9-8-12(10-15(14)21)16-11-23-18(22)17(25-16)19(27)24-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,22,23)(H,24,27) | PDB
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Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341742
(3-amino-N-phenyl-6-(4-(pyrrolidine-1-carbonyl)phen...)Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C22H21N5O2/c23-20-19(21(28)25-17-6-2-1-3-7-17)26-18(14-24-20)15-8-10-16(11-9-15)22(29)27-12-4-5-13-27/h1-3,6-11,14H,4-5,12-13H2,(H2,23,24)(H,25,28) | PDB
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Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341741
(3-amino-6-(4-(dimethylcarbamoyl)phenyl)-N-phenylpy...)Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19N5O2/c1-25(2)20(27)14-10-8-13(9-11-14)16-12-22-18(21)17(24-16)19(26)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,21,22)(H,23,26) | PDB
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Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656536
(US11919887, Compound 68 | rel-(2S,3R,5S)-4-[[3-(4-...)Show SMILES COc1cc(F)ccc1[C@@H]1C[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656540
(US11919887, Compound 72 | rel-(2R,3S,5R)-4-[[3-(4-...)Show SMILES COc1c(C)c(F)ccc1[C@@H]1C[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F | PDB
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More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656542
(US11919887, Compound 74 | rel-(2R,3S,5R)-4-[[3-[2-)Show SMILES C[C@@]1(C[C@H]([C@@H](O1)C(=O)Nc1ccnc(c1)C(N)=O)c1ccc(F)cc1OC(F)F)C(F)(F)F | PDB
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TBA
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More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656546
(US11919887, Compound 78 | rel-(2S,3R,5S)-4-[[3-(3-...)Show SMILES CCc1c(F)ccc([C@@H]2C[C@@](C)(O[C@H]2C(=O)Nc2ccnc(c2)C(N)=O)C(F)(F)F)c1OC | PDB
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More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656573
(US11919887, Compound 105 | rel-(2R,3S,4S)-4-[[3-(3...)Show SMILES COc1c(F)c(F)ccc1[C@@H]1[C@H](C)C(C)(C)O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O | PDB
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More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656581
(4-[[(2R,3S,4S,5S)-3-(3,4-difluoro-2-methoxy-phenyl...)Show SMILES COc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@H](O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(C)C | PDB
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More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656585
(US11919887, Compound 138 | rel-(2R,3S,4S,5R)-4-[[3...)Show SMILES COc1nc(ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F)C(F)(F)F | PDB
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More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656586
(4-[[(2R,3S,4S,5R)-3-[2-[(3,3-difluorocyclobutyl)me...)Show SMILES COC(=O)c1cc(NC(=O)[C@@H]2O[C@](C)([C@@H](C)[C@H]2c2ccc(F)c(F)c2O)C(F)(F)F)ccn1 |r| | PDB
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More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM656588
(US11919887, Compound 151 | rel-(2S,3R,4R,5S)-4-[[3...)Show SMILES C[C@@H]1[C@@H]([C@H](O[C@]1(C)C(F)(F)F)C(=O)Nc1cc(ncc1C)C(N)=O)c1ccc(F)c(F)c1OC(F)F | PDB
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More data for this
Ligand-Target Pair | |
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