Found 20 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50118225
(ARL 69931MX | Adenosine triphosphate derivative | ...)Show SMILES CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor in human platelets assessed as inhibition of ADP-induced platelet aggregation by turbidimetric method |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50167270
(CHEMBL1160364)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)n1cnc2c(NCC(F)(F)F)nc(SCCC(F)(F)F)nc12 |r| Show InChI InChI=1S/C16H20Cl2F6N5O12P3S/c17-16(18,42(32,33)34)43(35,36)41-44(37,38)39-3-6-8(30)9(31)12(40-6)29-5-26-7-10(25-4-15(22,23)24)27-13(28-11(7)29)45-2-1-14(19,20)21/h5-6,8-9,12,30-31H,1-4H2,(H,35,36)(H,37,38)(H,25,27,28)(H2,32,33,34)/t6-,8-,9-,12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor in human platelets assessed as inhibition of ADP-induced platelet aggregation by turbidimetric method |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
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
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-Mes-ADP from human P2Y12 receptor by beta-counter analysis |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
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
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor in human platelets assessed as inhibition of ADP-induced platelet aggregation by microplate reader analysis |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50118223
(AR-C67085 | Adenosine triphosphate derivative | CH...)Show SMILES CCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C14H22Cl2N5O12P3S/c1-2-3-37-13-19-10(17)7-11(20-13)21(5-18-7)12-9(23)8(22)6(32-12)4-31-36(29,30)33-35(27,28)14(15,16)34(24,25)26/h5-6,8-9,12,22-23H,2-4H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t6-,8-,9-,12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor in human platelets assessed as inhibition of ADP-induced platelet aggregation by turbidimetric method |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50397205
(AR-C126532XX | AZD-6140 | AZD6140 | BRILINTA | TIC...)Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50167273
(CHEMBL3797316)Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(C)(C)C(O)=O)c2ccc(C)cc2n1 |r| Show InChI InChI=1S/C27H34N4O9/c1-5-39-26(38)31-12-10-30(11-13-31)24(35)18(8-9-22(32)33)29-23(34)20-15-21(40-27(3,4)25(36)37)17-7-6-16(2)14-19(17)28-20/h6-7,14-15,18H,5,8-13H2,1-4H3,(H,29,34)(H,32,33)(H,36,37)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-Mes-ADP from human P2Y12 receptor |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50167273
(CHEMBL3797316)Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(C)(C)C(O)=O)c2ccc(C)cc2n1 |r| Show InChI InChI=1S/C27H34N4O9/c1-5-39-26(38)31-12-10-30(11-13-31)24(35)18(8-9-22(32)33)29-23(34)20-15-21(40-27(3,4)25(36)37)17-7-6-16(2)14-19(17)28-20/h6-7,14-15,18H,5,8-13H2,1-4H3,(H,29,34)(H,32,33)(H,36,37)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of ADP-induced platelet aggregation measured for 5 mins by lig... |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50397204
(ELINOGREL)Show SMILES CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F Show InChI InChI=1S/C20H15ClFN5O5S2/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17/h2-9,23H,1H3,(H,25,30)(H2,24,26,29) | PDB
Reactome pathway
KEGG
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antibodypedia
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-Mes-ADP from human P2Y12 receptor in platelets by scintillation counter |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50167272
(CHEMBL3798029)Show SMILES CCc1cnc(o1)-c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H18ClN5O4S2/c1-3-14-8-23-20(30-14)15-6-12(7-22)18(24-11(15)2)26-9-13(10-26)19(27)25-32(28,29)17-5-4-16(21)31-17/h4-6,8,13H,3,9-10H2,1-2H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) by GTPgammaS binding assay |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50397203
(CHEMBL2172275)Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(C)(C)C(=O)OCC)c2ccc(C)cc2n1 |r| Show InChI InChI=1S/C29H38N4O9/c1-6-40-27(38)29(4,5)42-23-17-22(30-21-16-18(3)8-9-19(21)23)25(36)31-20(10-11-24(34)35)26(37)32-12-14-33(15-13-32)28(39)41-7-2/h8-9,16-17,20H,6-7,10-15H2,1-5H3,(H,31,36)(H,34,35)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-Mes-ADP from human P2Y12 receptor |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436962
(CHEMBL2402264)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C19H20ClN5O5S2/c1-3-30-18(26)14-10-13(11-21)17(22-12(14)2)24-6-8-25(9-7-24)19(27)23-32(28,29)16-5-4-15(20)31-16/h4-5,10H,3,6-9H2,1-2H3,(H,23,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Binding affinity to P2Y12 receptor (unknown origin) |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439270
(CHEMBL2419497)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C18H17ClN4O5S2/c1-3-28-18(25)13-6-11(7-20)16(21-10(13)2)23-8-12(9-23)17(24)22-30(26,27)15-5-4-14(19)29-15/h4-6,12H,3,8-9H2,1-2H3,(H,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Binding affinity to P2Y12 receptor (unknown origin) |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436962
(CHEMBL2402264)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C19H20ClN5O5S2/c1-3-30-18(26)14-10-13(11-21)17(22-12(14)2)24-6-8-25(9-7-24)19(27)23-32(28,29)16-5-4-15(20)31-16/h4-5,10H,3,6-9H2,1-2H3,(H,23,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) by GTPgammaS binding assay |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439270
(CHEMBL2419497)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C18H17ClN4O5S2/c1-3-28-18(25)13-6-11(7-20)16(21-10(13)2)23-8-12(9-23)17(24)22-30(26,27)15-5-4-14(19)29-15/h4-6,12H,3,8-9H2,1-2H3,(H,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) by GTPgammaS binding assay |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50397203
(CHEMBL2172275)Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(C)(C)C(=O)OCC)c2ccc(C)cc2n1 |r| Show InChI InChI=1S/C29H38N4O9/c1-6-40-27(38)29(4,5)42-23-17-22(30-21-16-18(3)8-9-19(21)23)25(36)31-20(10-11-24(34)35)26(37)32-12-14-33(15-13-32)28(39)41-7-2/h8-9,16-17,20H,6-7,10-15H2,1-5H3,(H,31,36)(H,34,35)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of ADP-induced platelet aggregation measured for 5 mins by lig... |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50167272
(CHEMBL3798029)Show SMILES CCc1cnc(o1)-c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H18ClN5O4S2/c1-3-14-8-23-20(30-14)15-6-12(7-22)18(24-11(15)2)26-9-13(10-26)19(27)25-32(28,29)17-5-4-16(21)31-17/h4-6,8,13H,3,9-10H2,1-2H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Binding affinity to P2Y12 receptor (unknown origin) |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50397204
(ELINOGREL)Show SMILES CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F Show InChI InChI=1S/C20H15ClFN5O5S2/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17/h2-9,23H,1H3,(H,25,30)(H2,24,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor in human platelets assessed as inhibition of ADP-induced platelet aggregation by microplate reader analysis |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50366480
(ADENOSINE TRIPHOSPHATE | ATP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.51E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor in human platelets assessed as inhibition of ADP-induced platelet aggregation by turbidimetric method |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50167269
(CHEMBL1160356)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16Cl2N5O12P3/c12-11(13,31(21,22)23)32(24,25)30-33(26,27)28-1-4-6(19)7(20)10(29-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10,19-20H,1H2,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.16E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Galecto Biotech
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor in human platelets assessed as inhibition of ADP-induced platelet aggregation by turbidimetric method |
Bioorg Med Chem Lett 26: 2739-2754 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86 |
More data for this
Ligand-Target Pair | |
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