Found 30 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 |
|---|
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM5098
(1,2,4-Oxadiazole Analogue 12b | 4-[(2S)-2-{[(1S)-1...)Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C22H23Cl2N4O8P/c1-12(30)25-18(9-13-2-5-15(6-3-13)36-37(32,33)34)21(31)26-19(11-29)22-27-20(28-35-22)10-14-4-7-16(23)17(24)8-14/h2-8,18-19,29H,9-11H2,1H3,(H,25,30)(H,26,31)(H2,32,33,34)/t18-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70) |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM5097
(1,2,4-Oxadiazole Analogue 5f | 4-[(2S)-2-acetamido...)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r| Show InChI InChI=1S/C23H24F3N4O7P/c1-13(22-29-20(30-36-22)12-16-3-7-17(8-4-16)23(24,25)26)27-21(32)19(28-14(2)31)11-15-5-9-18(10-6-15)37-38(33,34)35/h3-10,13,19H,11-12H2,1-2H3,(H,27,32)(H,28,31)(H2,33,34,35)/t13-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70) |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM5095
(1,2,4-Oxadiazole Analogue 5d | 4-[(2S)-2-{[(1S)-1-...)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C22H23Cl2N4O7P/c1-12(22-27-20(28-34-22)11-15-5-8-17(23)18(24)9-15)25-21(30)19(26-13(2)29)10-14-3-6-16(7-4-14)35-36(31,32)33/h3-9,12,19H,10-11H2,1-2H3,(H,25,30)(H,26,29)(H2,31,32,33)/t12-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70) |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50082328
(CHEMBL102766 | N-{1-[3-(3,4-Dichloro-benzyl)-[1,2,...)Show SMILES OC[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C22H22Cl2N3O9P/c23-16-6-3-13(8-17(16)24)9-19-26-22(35-27-19)18(11-28)25-21(31)14(10-20(29)30)7-12-1-4-15(5-2-12)36-37(32,33)34/h1-6,8,14,18,28H,7,9-11H2,(H,25,31)(H,29,30)(H2,32,33,34)/t14-,18+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70) |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50082327
(CHEMBL102765 | N-{1-[3-(3,4-Dichloro-benzyl)-[1,2,...)Show SMILES C[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C22H22Cl2N3O8P/c1-12(22-26-19(27-34-22)10-14-4-7-17(23)18(24)9-14)25-21(30)15(11-20(28)29)8-13-2-5-16(6-3-13)35-36(31,32)33/h2-7,9,12,15H,8,10-11H2,1H3,(H,25,30)(H,28,29)(H2,31,32,33)/t12-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70) |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50082331
(CHEMBL320372 | Phosphoric acid mono-[4-(3-(2-methy...)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)CS(=O)(=O)C(C)(C)C)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 Show InChI InChI=1S/C26H31F3N3O8PS/c1-16(24-31-22(32-39-24)14-18-5-9-20(10-6-18)26(27,28)29)30-23(33)19(15-42(37,38)25(2,3)4)13-17-7-11-21(12-8-17)40-41(34,35)36/h5-12,16,19H,13-15H2,1-4H3,(H,30,33)(H2,34,35,36)/t16-,19+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70) |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50082330
(3-(4-Phosphonooxy-benzyl)-N-{1-[3-(4-trifluorometh...)Show SMILES C[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 Show InChI InChI=1S/C23H23F3N3O8P/c1-13(22-28-19(29-36-22)11-15-2-6-17(7-3-15)23(24,25)26)27-21(32)16(12-20(30)31)10-14-4-8-18(9-5-14)37-38(33,34)35/h2-9,13,16H,10-12H2,1H3,(H,27,32)(H,30,31)(H2,33,34,35)/t13-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70) |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50217232
(CHEMBL3706656)Show SMILES C[C@H](NC(=O)c1cc2cc(OP(O)(O)=O)ccc2[nH]1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C20H17Cl2N4O6P/c1-10(20-25-18(26-31-20)7-11-2-4-14(21)15(22)6-11)23-19(27)17-9-12-8-13(32-33(28,29)30)3-5-16(12)24-17/h2-6,8-10,24H,7H2,1H3,(H,23,27)(H2,28,29,30)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70) |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50082326
(CHEMBL319179 | Phosphoric acid mono-[5-(3-{1-[3-(3...)Show SMILES C[C@H](NC(=O)Nc1cccc2cc(OP(O)(O)=O)ccc12)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C22H19Cl2N4O6P/c1-12(21-27-20(28-33-21)10-13-5-8-17(23)18(24)9-13)25-22(29)26-19-4-2-3-14-11-15(6-7-16(14)19)34-35(30,31)32/h2-9,11-12H,10H2,1H3,(H2,25,26,29)(H2,30,31,32)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70) |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50082327
(CHEMBL102765 | N-{1-[3-(3,4-Dichloro-benzyl)-[1,2,...)Show SMILES C[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C22H22Cl2N3O8P/c1-12(22-26-19(27-34-22)10-14-4-7-17(23)18(24)9-14)25-21(30)15(11-20(28)29)8-13-2-5-16(6-3-13)35-36(31,32)33/h2-7,9,12,15H,8,10-11H2,1H3,(H,25,30)(H,28,29)(H2,31,32,33)/t12-,15+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Src protein tryrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50082328
(CHEMBL102766 | N-{1-[3-(3,4-Dichloro-benzyl)-[1,2,...)Show SMILES OC[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C22H22Cl2N3O9P/c23-16-6-3-13(8-17(16)24)9-19-26-22(35-27-19)18(11-28)25-21(31)14(10-20(29)30)7-12-1-4-15(5-2-12)36-37(32,33)34/h1-6,8,14,18,28H,7,9-11H2,(H,25,31)(H,29,30)(H2,32,33,34)/t14-,18+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Src protein tryrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM5097
(1,2,4-Oxadiazole Analogue 5f | 4-[(2S)-2-acetamido...)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r| Show InChI InChI=1S/C23H24F3N4O7P/c1-13(22-29-20(30-36-22)12-16-3-7-17(8-4-16)23(24,25)26)27-21(32)19(28-14(2)31)11-15-5-9-18(10-6-15)37-38(33,34)35/h3-10,13,19H,11-12H2,1-2H3,(H,27,32)(H,28,31)(H2,33,34,35)/t13-,19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Src protein tryrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM5098
(1,2,4-Oxadiazole Analogue 12b | 4-[(2S)-2-{[(1S)-1...)Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C22H23Cl2N4O8P/c1-12(30)25-18(9-13-2-5-15(6-3-13)36-37(32,33)34)21(31)26-19(11-29)22-27-20(28-35-22)10-14-4-7-16(23)17(24)8-14/h2-8,18-19,29H,9-11H2,1H3,(H,25,30)(H,26,31)(H2,32,33,34)/t18-,19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Src protein tryrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50217232
(CHEMBL3706656)Show SMILES C[C@H](NC(=O)c1cc2cc(OP(O)(O)=O)ccc2[nH]1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C20H17Cl2N4O6P/c1-10(20-25-18(26-31-20)7-11-2-4-14(21)15(22)6-11)23-19(27)17-9-12-8-13(32-33(28,29)30)3-5-16(12)24-17/h2-6,8-10,24H,7H2,1H3,(H,23,27)(H2,28,29,30)/t10-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Src protein tryrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50082330
(3-(4-Phosphonooxy-benzyl)-N-{1-[3-(4-trifluorometh...)Show SMILES C[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 Show InChI InChI=1S/C23H23F3N3O8P/c1-13(22-28-19(29-36-22)11-15-2-6-17(7-3-15)23(24,25)26)27-21(32)16(12-20(30)31)10-14-4-8-18(9-5-14)37-38(33,34)35/h2-9,13,16H,10-12H2,1H3,(H,27,32)(H,30,31)(H2,33,34,35)/t13-,16+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Src protein tryrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50082329
(CHEMBL419353 | Phosphoric acid mono-[4-(2-{1-[3-(3...)Show SMILES C[C@H](NC(=O)CCc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C20H20Cl2N3O6P/c1-12(20-24-18(25-30-20)11-14-4-8-16(21)17(22)10-14)23-19(26)9-5-13-2-6-15(7-3-13)31-32(27,28)29/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,23,26)(H2,27,28,29)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.98E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70) |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50082326
(CHEMBL319179 | Phosphoric acid mono-[5-(3-{1-[3-(3...)Show SMILES C[C@H](NC(=O)Nc1cccc2cc(OP(O)(O)=O)ccc12)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C22H19Cl2N4O6P/c1-12(21-27-20(28-33-21)10-13-5-8-17(23)18(24)9-13)25-22(29)26-19-4-2-3-14-11-15(6-7-16(14)19)34-35(30,31)32/h2-9,11-12H,10H2,1H3,(H2,25,26,29)(H2,30,31,32)/t12-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.98E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Src protein tryrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50082331
(CHEMBL320372 | Phosphoric acid mono-[4-(3-(2-methy...)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)CS(=O)(=O)C(C)(C)C)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 Show InChI InChI=1S/C26H31F3N3O8PS/c1-16(24-31-22(32-39-24)14-18-5-9-20(10-6-18)26(27,28)29)30-23(33)19(15-42(37,38)25(2,3)4)13-17-7-11-21(12-8-17)40-41(34,35)36/h5-12,16,19H,13-15H2,1-4H3,(H,30,33)(H2,34,35,36)/t16-,19+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Src protein tryrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM5095
(1,2,4-Oxadiazole Analogue 5d | 4-[(2S)-2-{[(1S)-1-...)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C22H23Cl2N4O7P/c1-12(22-27-20(28-34-22)11-15-5-8-17(23)18(24)9-15)25-21(30)19(26-13(2)29)10-14-3-6-16(7-4-14)35-36(31,32)33/h3-9,12,19H,10-11H2,1-2H3,(H,25,30)(H,26,29)(H2,31,32,33)/t12-,19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Src protein tryrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50082326
(CHEMBL319179 | Phosphoric acid mono-[5-(3-{1-[3-(3...)Show SMILES C[C@H](NC(=O)Nc1cccc2cc(OP(O)(O)=O)ccc12)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C22H19Cl2N4O6P/c1-12(21-27-20(28-33-21)10-13-5-8-17(23)18(24)9-13)25-22(29)26-19-4-2-3-14-11-15(6-7-16(14)19)34-35(30,31)32/h2-9,11-12H,10H2,1H3,(H2,25,26,29)(H2,30,31,32)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Syk protein tyrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50217232
(CHEMBL3706656)Show SMILES C[C@H](NC(=O)c1cc2cc(OP(O)(O)=O)ccc2[nH]1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C20H17Cl2N4O6P/c1-10(20-25-18(26-31-20)7-11-2-4-14(21)15(22)6-11)23-19(27)17-9-12-8-13(32-33(28,29)30)3-5-16(12)24-17/h2-6,8-10,24H,7H2,1H3,(H,23,27)(H2,28,29,30)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.34E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Syk protein tyrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50082329
(CHEMBL419353 | Phosphoric acid mono-[4-(2-{1-[3-(3...)Show SMILES C[C@H](NC(=O)CCc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C20H20Cl2N3O6P/c1-12(20-24-18(25-30-20)11-14-4-8-16(21)17(22)10-14)23-19(26)9-5-13-2-6-15(7-3-13)31-32(27,28)29/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,23,26)(H2,27,28,29)/t12-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.59E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Src protein tryrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50082327
(CHEMBL102765 | N-{1-[3-(3,4-Dichloro-benzyl)-[1,2,...)Show SMILES C[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C22H22Cl2N3O8P/c1-12(22-26-19(27-34-22)10-14-4-7-17(23)18(24)9-14)25-21(30)15(11-20(28)29)8-13-2-5-16(6-3-13)35-36(31,32)33/h2-7,9,12,15H,8,10-11H2,1H3,(H,25,30)(H,28,29)(H2,31,32,33)/t12-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Syk protein tyrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM5095
(1,2,4-Oxadiazole Analogue 5d | 4-[(2S)-2-{[(1S)-1-...)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C22H23Cl2N4O7P/c1-12(22-27-20(28-34-22)11-15-5-8-17(23)18(24)9-15)25-21(30)19(26-13(2)29)10-14-3-6-16(7-4-14)35-36(31,32)33/h3-9,12,19H,10-11H2,1-2H3,(H,25,30)(H,26,29)(H2,31,32,33)/t12-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Syk protein tyrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50082331
(CHEMBL320372 | Phosphoric acid mono-[4-(3-(2-methy...)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)CS(=O)(=O)C(C)(C)C)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 Show InChI InChI=1S/C26H31F3N3O8PS/c1-16(24-31-22(32-39-24)14-18-5-9-20(10-6-18)26(27,28)29)30-23(33)19(15-42(37,38)25(2,3)4)13-17-7-11-21(12-8-17)40-41(34,35)36/h5-12,16,19H,13-15H2,1-4H3,(H,30,33)(H2,34,35,36)/t16-,19+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Syk protein tyrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50082329
(CHEMBL419353 | Phosphoric acid mono-[4-(2-{1-[3-(3...)Show SMILES C[C@H](NC(=O)CCc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C20H20Cl2N3O6P/c1-12(20-24-18(25-30-20)11-14-4-8-16(21)17(22)10-14)23-19(26)9-5-13-2-6-15(7-3-13)31-32(27,28)29/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,23,26)(H2,27,28,29)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Syk protein tyrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50082328
(CHEMBL102766 | N-{1-[3-(3,4-Dichloro-benzyl)-[1,2,...)Show SMILES OC[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 Show InChI InChI=1S/C22H22Cl2N3O9P/c23-16-6-3-13(8-17(16)24)9-19-26-22(35-27-19)18(11-28)25-21(31)14(10-20(29)30)7-12-1-4-15(5-2-12)36-37(32,33)34/h1-6,8,14,18,28H,7,9-11H2,(H,25,31)(H,29,30)(H2,32,33,34)/t14-,18+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Syk protein tyrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM5097
(1,2,4-Oxadiazole Analogue 5f | 4-[(2S)-2-acetamido...)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r| Show InChI InChI=1S/C23H24F3N4O7P/c1-13(22-29-20(30-36-22)12-16-3-7-17(8-4-16)23(24,25)26)27-21(32)19(28-14(2)31)11-15-5-9-18(10-6-15)37-38(33,34)35/h3-10,13,19H,11-12H2,1-2H3,(H,27,32)(H,28,31)(H2,33,34,35)/t13-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Syk protein tyrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM5098
(1,2,4-Oxadiazole Analogue 12b | 4-[(2S)-2-{[(1S)-1...)Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r| Show InChI InChI=1S/C22H23Cl2N4O8P/c1-12(30)25-18(9-13-2-5-15(6-3-13)36-37(32,33)34)21(31)26-19(11-29)22-27-20(28-35-22)10-14-4-7-16(23)17(24)8-14/h2-8,18-19,29H,9-11H2,1H3,(H,25,30)(H,26,31)(H2,32,33,34)/t18-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Syk protein tyrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50082330
(3-(4-Phosphonooxy-benzyl)-N-{1-[3-(4-trifluorometh...)Show SMILES C[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 Show InChI InChI=1S/C23H23F3N3O8P/c1-13(22-28-19(29-36-22)11-15-2-6-17(7-3-15)23(24,25)26)27-21(32)16(12-20(30)31)10-14-4-8-18(9-5-14)37-38(33,34)35/h2-9,13,16H,10-12H2,1H3,(H,27,32)(H,30,31)(H2,33,34,35)/t13-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Affinity for Syk protein tyrosine kinase |
Bioorg Med Chem Lett 9: 3009-14 (1999)
BindingDB Entry DOI: 10.7270/Q2ZS2VQR |
More data for this
Ligand-Target Pair | |
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