Found 2616 hits with Last Name = 'stocks' and Initial = 'mj' 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 |
|---|
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50521218
(CHEMBL4434674)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(-c2ncc(CN3C[C@H](C)O[C@H](C)C3)o2)c2cn[nH]c2c1 |r| Show InChI InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| Purchase
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PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
J Med Chem 62: 4815-4850 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01492
BindingDB Entry DOI: 10.7270/Q29K4FNP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50167271
(CHEMBL3798413)Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@@H]([C@@H](O)[C@H]3O)c3nnn[nH]3)c2n1 |r| Show InChI InChI=1S/C22H26N10O2S/c1-2-8-35-22-24-20(23-14-9-12(14)11-6-4-3-5-7-11)16-21(25-22)32(31-26-16)15-10-13(17(33)18(15)34)19-27-29-30-28-19/h3-7,12-15,17-18,33-34H,2,8-10H2,1H3,(H,23,24,25)(H,27,28,29,30)/t12-,13-,14+,15+,17+,18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM408717
( N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(met...)Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F Show InChI InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34) | PDB
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PC sid
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| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00921
BindingDB Entry DOI: 10.7270/Q2HT2TBQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429537
(CHEMBL2333770)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30) | PDB
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Similars
| PDB
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429541
(CHEMBL2333766)Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1 Show InChI InChI=1S/C23H25N3O2/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429548
(CHEMBL2333759)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C22H21F2N3O2/c1-22(2,3)15-7-4-5-9-19(15)29-20-18(8-6-12-25-20)27-21(28)26-17-11-10-14(23)13-16(17)24/h4-13H,1-3H3,(H2,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429538
(CHEMBL2333767)Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Sc2ccccc2C(C)(C)C)cc1 Show InChI InChI=1S/C23H25N3OS/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268964
(CHEMBL502519 | Sodium 1-Amino-4-[4-phenylamino-3-c...)Show SMILES Nc1c(cc(Nc2ccc(Nc3ccccc3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)C(O)=O Show InChI InChI=1S/C27H19N3O7S/c28-24-18(27(33)34)13-20(22-23(24)26(32)17-9-5-4-8-16(17)25(22)31)30-15-10-11-19(21(12-15)38(35,36)37)29-14-6-2-1-3-7-14/h1-13,29-30H,28H2,(H,33,34)(H,35,36,37)/p-1 | PDB
Reactome pathway
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PC sid
UniChem
Patents
Similars
| | 21 | n/a | n/a | 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 | |
P2Y purinoceptor 2
(Homo sapiens (Human)) | BDBM50271558
(CHEMBL4082045)Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2ccc(o2)C(=O)Nc2nnn[nH]2)c(=O)[nH]c1=S |c:14| Show InChI InChI=1S/C28H23N7O3S/c1-15-3-8-20-17(11-15)5-6-18-12-16(2)4-9-21(18)24(20)22-14-35(28(37)30-26(22)39)13-19-7-10-23(38-19)25(36)29-27-31-33-34-32-27/h3-12,14,24H,13H2,1-2H3,(H,30,37,39)(H2,29,31,32,33,34,36) | Reactome pathway
KEGG
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PC cid
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Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(2-(4-(2-(5,5-difluoro-7-(thiophen-2-yl)-5H-4-lambda4,5-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazab... |
J Med Chem 61: 3089-3113 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429546
(CHEMBL2333761)Show InChI InChI=1S/C21H19F2N3O2/c1-13(2)15-6-3-4-8-19(15)28-20-18(7-5-11-24-20)26-21(27)25-17-10-9-14(22)12-16(17)23/h3-13H,1-2H3,(H2,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50373303
(CHEMBL256141)Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(cc2)C2CCCCC2)n(n1)-c1ccccc1Cl Show InChI InChI=1S/C29H29ClN4O2/c1-20-19-28(34(33-20)26-13-7-5-11-24(26)30)36-27-14-8-6-12-25(27)32-29(35)31-23-17-15-22(16-18-23)21-9-3-2-4-10-21/h5-8,11-19,21H,2-4,9-10H2,1H3,(H2,31,32,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429547
(CHEMBL2333760)Show SMILES CC(C)(C)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2F)c1 Show InChI InChI=1S/C22H21F2N3O2/c1-22(2,3)14-6-4-7-16(12-14)29-20-19(8-5-11-25-20)27-21(28)26-18-10-9-15(23)13-17(18)24/h4-13H,1-3H3,(H2,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(Homo sapiens (Human)) | BDBM50271558
(CHEMBL4082045)Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2ccc(o2)C(=O)Nc2nnn[nH]2)c(=O)[nH]c1=S |c:14| Show InChI InChI=1S/C28H23N7O3S/c1-15-3-8-20-17(11-15)5-6-18-12-16(2)4-9-21(18)24(20)22-14-35(28(37)30-26(22)39)13-19-7-10-23(38-19)25(36)29-27-31-33-34-32-27/h3-12,14,24H,13H2,1-2H3,(H,30,37,39)(H2,29,31,32,33,34,36) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| Purchase
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Displacement of N-(2-(3-((7-Chloro-4-(1-methyl-2-oxo-4-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4H-benzo[5,6]cyclohepta[1,2-d]thiazol-2-yl)-amino)pro... |
J Med Chem 61: 3089-3113 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(Homo sapiens (Human)) | BDBM50271558
(CHEMBL4082045)Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2ccc(o2)C(=O)Nc2nnn[nH]2)c(=O)[nH]c1=S |c:14| Show InChI InChI=1S/C28H23N7O3S/c1-15-3-8-20-17(11-15)5-6-18-12-16(2)4-9-21(18)24(20)22-14-35(28(37)30-26(22)39)13-19-7-10-23(38-19)25(36)29-27-31-33-34-32-27/h3-12,14,24H,13H2,1-2H3,(H,30,37,39)(H2,29,31,32,33,34,36) | Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| Purchase
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl... |
J Med Chem 61: 3089-3113 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429567
(CHEMBL2333776)Show SMILES Fc1ccccc1NC(=O)Nc1cccnc1Oc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H13F4N3O2/c20-14-7-1-2-8-15(14)25-18(27)26-16-9-4-10-24-17(16)28-13-6-3-5-12(11-13)19(21,22)23/h1-11H,(H2,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(Homo sapiens (Human)) | BDBM50271558
(CHEMBL4082045)Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2ccc(o2)C(=O)Nc2nnn[nH]2)c(=O)[nH]c1=S |c:14| Show InChI InChI=1S/C28H23N7O3S/c1-15-3-8-20-17(11-15)5-6-18-12-16(2)4-9-21(18)24(20)22-14-35(28(37)30-26(22)39)13-19-7-10-23(38-19)25(36)29-27-31-33-34-32-27/h3-12,14,24H,13H2,1-2H3,(H,30,37,39)(H2,29,31,32,33,34,36) | Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
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Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Displacement of N-(2-(2-(2-(3-((7-Chloro-4-(1-methyl-2-oxo-4-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4H-benzo[5,6]cyclohepta[1,2-d]thiazol-2-yl)amin... |
J Med Chem 61: 3089-3113 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429561
(CHEMBL2333353)Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H16F3N3O2/c1-13-7-9-15(10-8-13)25-19(27)26-17-6-3-11-24-18(17)28-16-5-2-4-14(12-16)20(21,22)23/h2-12H,1H3,(H2,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429562
(CHEMBL2333352)Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C19H13ClF3N3O2/c20-13-6-8-14(9-7-13)25-18(27)26-16-5-2-10-24-17(16)28-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H2,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50373324
(CHEMBL258406)Show SMILES CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C26H23F3N4O3/c1-3-18-8-4-6-10-22(18)33-24(16-17(2)32-33)35-23-11-7-5-9-21(23)31-25(34)30-19-12-14-20(15-13-19)36-26(27,28)29/h4-16H,3H2,1-2H3,(H2,30,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 70 | n/a | n/a | 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 | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429569
(CHEMBL2333774)Show SMILES Fc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H12F5N3O2/c20-12-6-7-15(14(21)10-12)26-18(28)27-16-5-2-8-25-17(16)29-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H2,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 75 | n/a | n/a | 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 | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429545
(CHEMBL2333762)Show InChI InChI=1S/C20H17F2N3O2/c1-2-13-6-3-4-8-18(13)27-19-17(7-5-11-23-19)25-20(26)24-16-10-9-14(21)12-15(16)22/h3-12H,2H2,1H3,(H2,24,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 77 | n/a | n/a | 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 | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | CHEMBL5271821
| Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 80 | n/a | n/a | 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 | |
P2Y purinoceptor 2
(Homo sapiens (Human)) | BDBM50271600
(CHEMBL4086462)Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)C(Cl)(Cl)P([O-])([O-])=O)n1cc(C2c3ccccc3CCc3ccccc23)c(=S)[nH]c1=O |r| Show InChI InChI=1S/C25H27Cl2N2O13P3S.4Na/c26-25(27,43(33,34)35)44(36,37)42-45(38,39)40-12-18-20(30)21(31)23(41-18)29-11-17(22(46)28-24(29)32)19-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)19;;;;/h1-8,11,18-21,23,30-31H,9-10,12H2,(H,36,37)(H,38,39)(H,28,32,46)(H2,33,34,35);;;;/q;4*+1/p-4/t18-,20-,21-,23-;;;;/m1..../s1 | Reactome pathway
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| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl... |
J Med Chem 61: 3089-3113 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD |
More data for this
Ligand-Target Pair | |
Anthranilate--CoA ligase
(Pseudomonas aeruginosa (Gram- Bacteria)) | BDBM50324670
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1 | PDB
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PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Pseudomonas aeruginosa PqsA assessed as decrease in formation of anthranilyl-CoA by spectrophotometric method |
J Med Chem 61: 10385-10402 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00540
BindingDB Entry DOI: 10.7270/Q2XP77NZ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50373323
(CHEMBL255306)Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(n1)-c1ccccc1Cl Show InChI InChI=1S/C24H18ClF3N4O3/c1-15-14-22(32(31-15)20-8-4-2-6-18(20)25)34-21-9-5-3-7-19(21)30-23(33)29-16-10-12-17(13-11-16)35-24(26,27)28/h2-14H,1H3,(H2,29,30,33) | PDB
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| | 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Anthranilate--CoA ligase
(Pseudomonas aeruginosa (Gram- Bacteria)) | BDBM50465699
(CHEMBL377483)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19N7O7S/c18-14-11-15(20-6-19-14)24(7-21-11)17-13(27)12(26)10(31-17)5-22-32(29,30)23-16(28)8-3-1-2-4-9(8)25/h1-4,6-7,10,12-13,17,22,25-27H,5H2,(H,23,28)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1 | PDB
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| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Pseudomonas aeruginosa PqsA assessed as decrease in formation of anthranilyl-CoA by spectrophotometric method |
J Med Chem 61: 10385-10402 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00540
BindingDB Entry DOI: 10.7270/Q2XP77NZ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(Homo sapiens (Human)) | BDBM50271596
(CHEMBL4128126)Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2nc(cs2)C(=O)Nc2nnn[nH]2)c(=O)[nH]c1=S |c:14| Show InChI InChI=1S/C27H22N8O2S2/c1-14-3-7-18-16(9-14)5-6-17-10-15(2)4-8-19(17)23(18)20-11-35(27(37)30-25(20)38)12-22-28-21(13-39-22)24(36)29-26-31-33-34-32-26/h3-11,13,23H,12H2,1-2H3,(H,30,37,38)(H2,29,31,32,33,34,36) | Reactome pathway
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| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl... |
J Med Chem 61: 3089-3113 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(Homo sapiens (Human)) | BDBM50271589
(CHEMBL4128024)Show SMILES Cc1ccc2C(c3ccc(C)cc3CCc2c1)c1cn(Cc2cc(cc(c2)C(O)=O)C(O)=O)c(=O)[nH]c1=S Show InChI InChI=1S/C30H26N2O5S/c1-16-3-7-23-19(9-16)5-6-20-10-17(2)4-8-24(20)26(23)25-15-32(30(37)31-27(25)38)14-18-11-21(28(33)34)13-22(12-18)29(35)36/h3-4,7-13,15,26H,5-6,14H2,1-2H3,(H,33,34)(H,35,36)(H,31,37,38) | Reactome pathway
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| 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl... |
J Med Chem 61: 3089-3113 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50343128
(2-(benzo[d][1,3]dioxol-5-yl)-N-(3-ethylphenyl)-4-o...)Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C30H28N4O3/c1-3-20-8-6-9-22(15-20)31-30(35)34-14-13-25-24(17-34)28(23-10-5-4-7-19(23)2)33-29(32-25)21-11-12-26-27(16-21)37-18-36-26/h4-12,15-16H,3,13-14,17-18H2,1-2H3,(H,31,35) | Reactome pathway
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| | 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429568
(CHEMBL2333775)Show InChI InChI=1S/C19H14F3N3O2/c20-19(21,22)13-6-4-9-15(12-13)27-17-16(10-5-11-23-17)25-18(26)24-14-7-2-1-3-8-14/h1-12H,(H2,24,25,26) | PDB
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| | 171 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429544
(CHEMBL2333763)Show SMILES Fc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H12F5N3O2/c20-11-7-8-14(13(21)10-11)26-18(28)27-15-5-3-9-25-17(15)29-16-6-2-1-4-12(16)19(22,23)24/h1-10H,(H2,26,27,28) | PDB
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| | 172 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429540
(CHEMBL2333768)Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Nc2ccccc2C(C)(C)C)cc1 Show InChI InChI=1S/C23H26N4O/c1-16-11-13-17(14-12-16)25-22(28)27-20-10-7-15-24-21(20)26-19-9-6-5-8-18(19)23(2,3)4/h5-15H,1-4H3,(H,24,26)(H2,25,27,28) | PDB
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| | 175 | n/a | n/a | 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 | |
P2Y purinoceptor 2
(Homo sapiens (Human)) | BDBM50271599
(CHEMBL4128208)Show SMILES CCOCCNc1nc2[C@@H](c3ccc(Cl)cc3C=Cc2s1)c1cn(C)c(=O)[nH]c1=S |r,c:18| Show InChI InChI=1S/C21H21ClN4O2S2/c1-3-28-9-8-23-20-24-18-16(30-20)7-4-12-10-13(22)5-6-14(12)17(18)15-11-26(2)21(27)25-19(15)29/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,23,24)(H,25,27,29)/t17-/m0/s1 | Reactome pathway
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| 275 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl... |
J Med Chem 61: 3089-3113 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429559
(CHEMBL2333355)Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H13F6N3O3/c21-19(22,23)12-3-1-4-15(11-12)31-17-16(5-2-10-27-17)29-18(30)28-13-6-8-14(9-7-13)32-20(24,25)26/h1-11H,(H2,28,29,30) | PDB
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| | 313 | n/a | n/a | 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 | |
P2Y purinoceptor 2
(Homo sapiens (Human)) | BDBM50271569
(CHEMBL4128318)Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCCC(=O)NCCNC(=O)CCNc3nc4C(c5ccc(Cl)cc5C=Cc4s3)c3cn(C)c(=O)[nH]c3=S)=[N+]1[B-]2(F)F |c:10,46,61,t:8| Show InChI InChI=1S/C42H47BClF2N9O4S2/c1-25-21-26(2)54-33(25)23-30-11-10-29(55(30)43(54,45)46)12-15-36(57)47-17-6-4-5-7-35(56)48-19-20-49-37(58)16-18-50-41-51-39-34(61-41)14-8-27-22-28(44)9-13-31(27)38(39)32-24-53(3)42(59)52-40(32)60/h8-11,13-14,21-24,38H,4-7,12,15-20H2,1-3H3,(H,47,57)(H,48,56)(H,49,58)(H,50,51)(H,52,59,60) | Reactome pathway
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| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl... |
J Med Chem 61: 3089-3113 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50521218
(CHEMBL4434674)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(-c2ncc(CN3C[C@H](C)O[C@H](C)C3)o2)c2cn[nH]c2c1 |r| Show InChI InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+ | PDB
MMDB
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Reactome pathway
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| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) |
J Med Chem 62: 4815-4850 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01492
BindingDB Entry DOI: 10.7270/Q29K4FNP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50521218
(CHEMBL4434674)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(-c2ncc(CN3C[C@H](C)O[C@H](C)C3)o2)c2cn[nH]c2c1 |r| Show InChI InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+ | PDB
MMDB
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Reactome pathway
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| Article
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| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) |
J Med Chem 62: 4815-4850 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01492
BindingDB Entry DOI: 10.7270/Q29K4FNP |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429565
(CHEMBL2333349)Show SMILES Fc1cccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H13F4N3O2/c20-13-5-2-6-14(11-13)25-18(27)26-16-8-3-9-24-17(16)28-15-7-1-4-12(10-15)19(21,22)23/h1-11H,(H2,25,26,27) | PDB
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| | 607 | n/a | n/a | 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 | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50521218
(CHEMBL4434674)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(-c2ncc(CN3C[C@H](C)O[C@H](C)C3)o2)c2cn[nH]c2c1 |r| Show InChI InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+ | PDB
MMDB
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Reactome pathway
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| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) |
J Med Chem 62: 4815-4850 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01492
BindingDB Entry DOI: 10.7270/Q29K4FNP |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(Homo sapiens (Human)) | BDBM50271597
(CHEMBL4127983)Show SMILES Cc1nc2C(c3ccc(Cl)cc3C=Cc2s1)c1cn(C)c(=O)[nH]c1=S |c:13| Show InChI InChI=1S/C18H14ClN3OS2/c1-9-20-16-14(25-9)6-3-10-7-11(19)4-5-12(10)15(16)13-8-22(2)18(23)21-17(13)24/h3-8,15H,1-2H3,(H,21,23,24) | Reactome pathway
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| 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl... |
J Med Chem 61: 3089-3113 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429549
(CHEMBL2333758)Show InChI InChI=1S/C18H13F2N3O2/c19-12-8-9-15(14(20)11-12)22-18(24)23-16-7-4-10-21-17(16)25-13-5-2-1-3-6-13/h1-11H,(H2,22,23,24) | PDB
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| | 2.00E+3 | n/a | n/a | 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 | |
P2Y purinoceptor 2
(Homo sapiens (Human)) | BDBM50205417
(CHEMBL220200 | UTP-gamma-S)Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(S)=O)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-22-26(16,17)24-27(18,19)25-28(20,21)29/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,18,19)(H,10,12,15)(H2,20,21,29)/t4-,6-,7-,8-/m1/s1 | Reactome pathway
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UniChem
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| Article
PubMed
| 3.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl... |
J Med Chem 61: 3089-3113 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429539
(CHEMBL2333769)Show SMILES CN(c1ccccc1C(C)(C)C)c1ncccc1NC(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C24H28N4O/c1-17-12-14-18(15-13-17)26-23(29)27-20-10-8-16-25-22(20)28(5)21-11-7-6-9-19(21)24(2,3)4/h6-16H,1-5H3,(H2,26,27,29) | PDB
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UniChem
Similars
| | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429551
(CHEMBL2333757)Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)NCc2ccccc2)c1 Show InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)15-8-4-9-16(12-15)28-18-17(10-5-11-24-18)26-19(27)25-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,25,26,27) | PDB
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| | >5.00E+3 | n/a | n/a | 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 | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429550
(CHEMBL2331579)Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)NCCc2ccccc2)c1 Show InChI InChI=1S/C21H18F3N3O2/c22-21(23,24)16-8-4-9-17(14-16)29-19-18(10-5-12-25-19)27-20(28)26-13-11-15-6-2-1-3-7-15/h1-10,12,14H,11,13H2,(H2,26,27,28) | PDB
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| | >5.00E+3 | n/a | n/a | 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 | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429542
(CHEMBL2333765)Show InChI InChI=1S/C19H15F2N3O2/c1-12-4-7-14(8-5-12)26-18-17(3-2-10-22-18)24-19(25)23-16-9-6-13(20)11-15(16)21/h2-11H,1H3,(H2,23,24,25) | PDB
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| | >5.00E+3 | n/a | n/a | 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 | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429543
(CHEMBL2333764)Show SMILES Fc1ccc(NC(=O)Nc2cccnc2Oc2ccc(cc2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H12F5N3O2/c20-12-5-8-15(14(21)10-12)26-18(28)27-16-2-1-9-25-17(16)29-13-6-3-11(4-7-13)19(22,23)24/h1-10H,(H2,26,27,28) | PDB
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| | >5.00E+3 | n/a | n/a | 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 | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429566
(CHEMBL2333348)Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C19H13ClF3N3O2/c20-14-7-1-2-8-15(14)25-18(27)26-16-9-4-10-24-17(16)28-13-6-3-5-12(11-13)19(21,22)23/h1-11H,(H2,25,26,27) | PDB
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| | >5.00E+3 | n/a | n/a | 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 | |
P2Y purinoceptor 2
(Homo sapiens (Human)) | BDBM50271598
(CHEMBL4128059)Show SMILES CCOCCNc1nc2[C@H](c3ccc(Cl)cc3C=Cc2s1)c1cn(C)c(=O)[nH]c1=S |r,c:18| Show InChI InChI=1S/C21H21ClN4O2S2/c1-3-28-9-8-23-20-24-18-16(30-20)7-4-12-10-13(22)5-6-14(12)17(18)15-11-26(2)21(27)25-19(15)29/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,23,24)(H,25,27,29)/t17-/m1/s1 | Reactome pathway
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PubMed
| 5.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl... |
J Med Chem 61: 3089-3113 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50373301
(CHEMBL256944)Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(cc2)C2CCS(=O)(=O)CC2)n(n1)-c1ccccc1Cl Show InChI InChI=1S/C28H27ClN4O4S/c1-19-18-27(33(32-19)25-8-4-2-6-23(25)29)37-26-9-5-3-7-24(26)31-28(34)30-22-12-10-20(11-13-22)21-14-16-38(35,36)17-15-21/h2-13,18,21H,14-17H2,1H3,(H2,30,31,34) | PDB
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| | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
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