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PubMed code 16169725

Compile data set for download or QSAR
Found 7 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))		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
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibitory concentration against Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 15: 4994-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.005
BindingDB Entry DOI: 10.7270/Q2W37VWC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50174137
PNG
((S)-4-[(S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylam...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(26)24(36)28-17(9-11-20(32)33)22(34)27-16(8-10-19(30)31)23(35)29-18(25(37)38)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,28,36)(H,29,35)(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
antibodypedia
GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibitory concentration against Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 15: 4994-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.005
BindingDB Entry DOI: 10.7270/Q2W37VWC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50174138
PNG
((S)-4-[(S)-2-((1S,4S)-2-Amino-3-methyl-pentanoylam...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H36N4O9/c1-3-14(2)21(26)24(36)28-17(10-12-20(32)33)22(34)27-16(9-11-19(30)31)23(35)29-18(25(37)38)13-15-7-5-4-6-8-15/h4-8,14,16-18,21H,3,9-13,26H2,1-2H3,(H,27,34)(H,28,36)(H,29,35)(H,30,31)(H,32,33)(H,37,38)/t14-,16-,17-,18-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibitory concentration against Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 15: 4994-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.005
BindingDB Entry DOI: 10.7270/Q2W37VWC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50174134
PNG
((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-Amino-3-phenyl-prop...)
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)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H36N4O9/c1-3-14(2)21(25(37)38)29-24(36)18(10-12-20(32)33)28-23(35)17(9-11-19(30)31)27-22(34)16(26)13-15-7-5-4-6-8-15/h4-8,14,16-18,21H,3,9-13,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)/t14-,16-,17-,18-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibitory concentration against Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 15: 4994-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.005
BindingDB Entry DOI: 10.7270/Q2W37VWC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50174135
PNG
((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-...)
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(O)cc1)C(O)=O
Show InChI InChI=1S/C25H36N4O10/c1-3-13(2)21(25(38)39)29-24(37)18(9-11-20(33)34)28-23(36)17(8-10-19(31)32)27-22(35)16(26)12-14-4-6-15(30)7-5-14/h4-7,13,16-18,21,30H,3,8-12,26H2,1-2H3,(H,27,35)(H,28,36)(H,29,37)(H,31,32)(H,33,34)(H,38,39)/t13-,16-,17-,18-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibitory concentration against Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 15: 4994-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.005
BindingDB Entry DOI: 10.7270/Q2W37VWC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50174136
PNG
((S)-4-[(S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylam...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C25H36N4O10/c1-3-13(2)21(26)24(37)28-17(9-11-20(33)34)22(35)27-16(8-10-19(31)32)23(36)29-18(25(38)39)12-14-4-6-15(30)7-5-14/h4-7,13,16-18,21,30H,3,8-12,26H2,1-2H3,(H,27,35)(H,28,37)(H,29,36)(H,31,32)(H,33,34)(H,38,39)/t13-,16-,17-,18-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibitory concentration against Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 15: 4994-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.005
BindingDB Entry DOI: 10.7270/Q2W37VWC
More data for this
Ligand-Target Pair
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
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 100n/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Dissociation constant against Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 15: 4994-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.005
BindingDB Entry DOI: 10.7270/Q2W37VWC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%