Found 6 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 |
|---|
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50080177
((S)-4-{(S)-2-[(S)-2-Acetylamino-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](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O Show InChI InChI=1S/C27H40N5O13P/c1-4-14(2)23(24(28)38)32-26(40)19(10-12-22(36)37)30-25(39)18(9-11-21(34)35)31-27(41)20(29-15(3)33)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(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)/t14-,18-,19-,20-,23-/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 | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of binding to Src SH2 domain |
Bioorg Med Chem Lett 9: 2353-8 (1999)
BindingDB Entry DOI: 10.7270/Q2JS9QZ5 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50080173
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)c1nc(CC2CCCCC2)cs1 Show InChI InChI=1S/C25H34N3O8PS/c1-16(29)26-22(14-18-7-9-20(10-8-18)36-37(33,34)35)24(32)28-21(11-12-23(30)31)25-27-19(15-38-25)13-17-5-3-2-4-6-17/h7-10,15,17,21-22H,2-6,11-14H2,1H3,(H,26,29)(H,28,32)(H,30,31)(H2,33,34,35)/t21-,22-/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 | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of binding to Src SH2 domain |
Bioorg Med Chem Lett 9: 2353-8 (1999)
BindingDB Entry DOI: 10.7270/Q2JS9QZ5 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50080170
(CHEMBL76250 | Phosphoric acid mono-(4-{(S)-2-acety...)Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1cccc(CC2CCCCC2)c1 Show InChI InChI=1S/C27H37N2O6P/c1-3-25(23-11-7-10-22(17-23)16-20-8-5-4-6-9-20)29-27(31)26(28-19(2)30)18-21-12-14-24(15-13-21)35-36(32,33)34/h7,10-15,17,20,25-26H,3-6,8-9,16,18H2,1-2H3,(H,28,30)(H,29,31)(H2,32,33,34)/t25-,26-/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 | 3.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of binding to Src SH2 domain |
Bioorg Med Chem Lett 9: 2353-8 (1999)
BindingDB Entry DOI: 10.7270/Q2JS9QZ5 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50080169
(CHEMBL76625 | Phosphoric acid mono-(4-{(S)-2-acety...)Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NCc1nc(CC2CCCCC2)cs1 Show InChI InChI=1S/C22H30N3O6PS/c1-15(26)24-20(12-17-7-9-19(10-8-17)31-32(28,29)30)22(27)23-13-21-25-18(14-33-21)11-16-5-3-2-4-6-16/h7-10,14,16,20H,2-6,11-13H2,1H3,(H,23,27)(H,24,26)(H2,28,29,30)/t20-/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 | 4.83E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of binding to Src SH2 domain |
Bioorg Med Chem Lett 9: 2353-8 (1999)
BindingDB Entry DOI: 10.7270/Q2JS9QZ5 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50080172
(CHEMBL308344 | Phosphoric acid mono-{4-[(S)-2-acet...)Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NCc1cccc(CC2CCCCC2)c1 Show InChI InChI=1S/C25H33N2O6P/c1-18(28)27-24(16-20-10-12-23(13-11-20)33-34(30,31)32)25(29)26-17-22-9-5-8-21(15-22)14-19-6-3-2-4-7-19/h5,8-13,15,19,24H,2-4,6-7,14,16-17H2,1H3,(H,26,29)(H,27,28)(H2,30,31,32)/t24-/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 | 7.69E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of binding to Src SH2 domain |
Bioorg Med Chem Lett 9: 2353-8 (1999)
BindingDB Entry DOI: 10.7270/Q2JS9QZ5 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50101077
((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
| PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for Src SH2 domain |
Bioorg Med Chem Lett 9: 2353-8 (1999)
BindingDB Entry DOI: 10.7270/Q2JS9QZ5 |
More data for this
Ligand-Target Pair | |
Search and Browse
