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Compile Data Set for Download or QSAR

Found 7 hits from ARIAD Pharmaceuticals, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50472901
PNG
(CHEMBL2111833)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCCCc2cc(OCC3CCCCC3)c(cc12)C(N)=O
Show InChI InChI=1S/C30H40N3O8P/c1-19(34)32-27(15-20-11-13-23(14-12-20)41-42(37,38)39)30(36)33-26-10-6-5-9-22-16-28(25(29(31)35)17-24(22)26)40-18-21-7-3-2-4-8-21/h11-14,16-17,21,26-27H,2-10,15,18H2,1H3,(H2,31,35)(H,32,34)(H,33,36)(H2,37,38,39)/t26-,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
UniChem
PubMed
n/an/a 100n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Src SH2 domain in competitive fluorescence polarization assay


J Med Chem 43: 3815-9 (2000)

More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50472902
PNG
(CHEMBL2111834)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCCOc2cc(OCC3CCCCC3)c(cc12)C(N)=O
Show InChI InChI=1S/C29H38N3O9P/c1-18(33)31-25(14-19-9-11-21(12-10-19)41-42(36,37)38)29(35)32-24-8-5-13-39-26-16-27(23(28(30)34)15-22(24)26)40-17-20-6-3-2-4-7-20/h9-12,15-16,20,24-25H,2-8,13-14,17H2,1H3,(H2,30,34)(H,31,33)(H,32,35)(H2,36,37,38)/t24-,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
UniChem
PubMed
n/an/a 200n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Src SH2 domain in competitive fluorescence polarization assay


J Med Chem 43: 3815-9 (2000)

More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50472903
PNG
(CHEMBL2112641)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H]1CCCOc2cc(OCC3CCCCC3)c(cc12)C(N)=O
Show InChI InChI=1S/C29H38N3O9P/c1-18(33)31-25(14-19-9-11-21(12-10-19)41-42(36,37)38)29(35)32-24-8-5-13-39-26-16-27(23(28(30)34)15-22(24)26)40-17-20-6-3-2-4-7-20/h9-12,15-16,20,24-25H,2-8,13-14,17H2,1H3,(H2,30,34)(H,31,33)(H,32,35)(H2,36,37,38)/t24-,25+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
UniChem
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Src SH2 domain in competitive fluorescence polarization assay


J Med Chem 43: 3815-9 (2000)

More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097347
PNG
(CHEMBL346499 | Phosphoric acid mono-(4-{2-acetylam...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C27H36N3O8P/c1-17(21-10-13-25(23(15-21)26(28)32)37-16-20-6-4-3-5-7-20)29-27(33)24(30-18(2)31)14-19-8-11-22(12-9-19)38-39(34,35)36/h8-13,15,17,20,24H,3-7,14,16H2,1-2H3,(H2,28,32)(H,29,33)(H,30,31)(H2,34,35,36)/t17-,24-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Src SH2 domain in competitive fluorescence polarization assay


J Med Chem 43: 3815-9 (2000)

More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50101077
PNG
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Src SH2 domain in competitive fluorescence polarization assay


J Med Chem 43: 3815-9 (2000)

More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50472904
PNG
(CHEMBL2112639)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H]1CCCCc2cc(OCC3CCCCC3)c(cc12)C(N)=O
Show InChI InChI=1S/C30H40N3O8P/c1-19(34)32-27(15-20-11-13-23(14-12-20)41-42(37,38)39)30(36)33-26-10-6-5-9-22-16-28(25(29(31)35)17-24(22)26)40-18-21-7-3-2-4-8-21/h11-14,16-17,21,26-27H,2-10,15,18H2,1H3,(H2,31,35)(H,32,34)(H,33,36)(H2,37,38,39)/t26-,27+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
UniChem
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Src SH2 domain in competitive fluorescence polarization assay


J Med Chem 43: 3815-9 (2000)

More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50472905
PNG
(CHEMBL2112638)
Show SMILES C[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C27H36N3O8P/c1-17(21-10-13-25(23(15-21)26(28)32)37-16-20-6-4-3-5-7-20)29-27(33)24(30-18(2)31)14-19-8-11-22(12-9-19)38-39(34,35)36/h8-13,15,17,20,24H,3-7,14,16H2,1-2H3,(H2,28,32)(H,29,33)(H,30,31)(H2,34,35,36)/t17-,24+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
UniChem
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Src SH2 domain in competitive fluorescence polarization assay


J Med Chem 43: 3815-9 (2000)

More data for this
Ligand-Target Pair