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PubMed code 11262076

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50097348
PNG
(CHEMBL348743 | [(4-{2-Acetylamino-2-[1-(3-carbamoy...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(P(O)(O)=O)P(O)(O)=O)NC(C)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C28H39N3O10P2/c1-17(22-12-13-25(23(15-22)26(29)33)41-16-20-6-4-3-5-7-20)30-27(34)24(31-18(2)32)14-19-8-10-21(11-9-19)28(42(35,36)37)43(38,39)40/h8-13,15,17,20,24,28H,3-7,14,16H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32)(H2,35,36,37)(H2,38,39,40)/t17-,24-/m0/s1
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PubMed
n/an/a 350n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Src SH2 domain

J Med Chem 44: 660-3 (2001)


BindingDB Entry DOI: 10.7270/Q2DJ5DWC
More data for this
Ligand-Target Pair
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
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n/an/a 2.20E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Src SH2 domain

J Med Chem 44: 660-3 (2001)


BindingDB Entry DOI: 10.7270/Q2DJ5DWC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50097350
PNG
(4-[2-Acetylamino-3-(4-phosphonooxy-phenyl)-propion...)
Show SMILES CC(C)CC(NC(=O)C(CCC(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C27H40N5O13P/c1-14(2)12-20(24(28)38)32-26(40)19(9-11-23(36)37)30-25(39)18(8-10-22(34)35)31-27(41)21(29-15(3)33)13-16-4-6-17(7-5-16)45-46(42,43)44/h4-7,14,18-21H,8-13H2,1-3H3,(H2,28,38)(H,29,33)(H,30,39)(H,31,41)(H,32,40)(H,34,35)(H,36,37)(H2,42,43,44)
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n/an/a 5.00E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Src SH2 domain

J Med Chem 44: 660-3 (2001)


BindingDB Entry DOI: 10.7270/Q2DJ5DWC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50097349
PNG
((4-{2-Acetylamino-2-[1-(3-carbamoyl-4-cyclohexylme...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(CP(O)(O)=O)cc1)NC(C)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O
Show InChI InChI=1S/C28H38N3O7P/c1-18(23-12-13-26(24(15-23)27(29)33)38-16-21-6-4-3-5-7-21)30-28(34)25(31-19(2)32)14-20-8-10-22(11-9-20)17-39(35,36)37/h8-13,15,18,21,25H,3-7,14,16-17H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32)(H2,35,36,37)/t18-,25-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Src SH2 domain

J Med Chem 44: 660-3 (2001)


BindingDB Entry DOI: 10.7270/Q2DJ5DWC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%