Found 22 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)) | BDBM50067661
(CHEMBL137706 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CCCCCCN(CCCCCC)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C31H53N4O8P/c1-7-9-11-13-19-35(20-14-12-10-8-2)31(39)23(5)32-30(38)28(22(3)4)34-29(37)27(33-24(6)36)21-25-15-17-26(18-16-25)43-44(40,41)42/h15-18,22-23,27-28H,7-14,19-21H2,1-6H3,(H,32,38)(H,33,36)(H,34,37)(H2,40,41,42)/t23-,27+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Affinity for SH2 domain of src in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50067665
(CHEMBL137715 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CCCCCN(CCCCC)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C29H49N4O8P/c1-7-9-11-17-33(18-12-10-8-2)29(37)21(5)30-28(36)26(20(3)4)32-27(35)25(31-22(6)34)19-23-13-15-24(16-14-23)41-42(38,39)40/h13-16,20-21,25-26H,7-12,17-19H2,1-6H3,(H,30,36)(H,31,34)(H,32,35)(H2,38,39,40)/t21-,25+,26+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Affinity for SH2 domain of src in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50067662
(CHEMBL405059 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CCCCCN(CCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C29H49N4O8P/c1-7-9-11-17-33(18-12-10-8-2)29(37)21(5)30-28(36)26(20(3)4)32-27(35)25(31-22(6)34)19-23-13-15-24(16-14-23)41-42(38,39)40/h13-16,20-21,25-26H,7-12,17-19H2,1-6H3,(H,30,36)(H,31,34)(H,32,35)(H2,38,39,40)/t21-,25-,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Affinity for SH2 domain of src in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50067644
(CHEMBL421929 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CCCCCCN(CCCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C31H53N4O8P/c1-7-9-11-13-19-35(20-14-12-10-8-2)31(39)23(5)32-30(38)28(22(3)4)34-29(37)27(33-24(6)36)21-25-15-17-26(18-16-25)43-44(40,41)42/h15-18,22-23,27-28H,7-14,19-21H2,1-6H3,(H,32,38)(H,33,36)(H,34,37)(H2,40,41,42)/t23-,27-,28-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Affinity for SH2 domain of src in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50067641
(CHEMBL136289 | Phosphoric acid mono-[4-((S)-2-acet...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H](C)C(=O)NCCC1CCCCC1 Show InChI InChI=1S/C27H43N4O8P/c1-17(2)24(27(35)29-18(3)25(33)28-15-14-20-8-6-5-7-9-20)31-26(34)23(30-19(4)32)16-21-10-12-22(13-11-21)39-40(36,37)38/h10-13,17-18,20,23-24H,5-9,14-16H2,1-4H3,(H,28,33)(H,29,35)(H,30,32)(H,31,34)(H2,36,37,38)/t18-,23+,24+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Affinity for SH2 domain of src in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50067661
(CHEMBL137706 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CCCCCCN(CCCCCC)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C31H53N4O8P/c1-7-9-11-13-19-35(20-14-12-10-8-2)31(39)23(5)32-30(38)28(22(3)4)34-29(37)27(33-24(6)36)21-25-15-17-26(18-16-25)43-44(40,41)42/h15-18,22-23,27-28H,7-14,19-21H2,1-6H3,(H,32,38)(H,33,36)(H,34,37)(H2,40,41,42)/t23-,27+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity of the compound against abl SH2 domain of Platelet-derived growth factor receptor beta in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50067655
(CHEMBL133031 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CCCCN(CCCC)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C27H45N4O8P/c1-7-9-15-31(16-10-8-2)27(35)19(5)28-26(34)24(18(3)4)30-25(33)23(29-20(6)32)17-21-11-13-22(14-12-21)39-40(36,37)38/h11-14,18-19,23-24H,7-10,15-17H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)(H2,36,37,38)/t19-,23+,24+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Affinity for SH2 domain of src in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50067646
((S)-2-{(S)-2-[((S)-1-{(S)-2-[(S)-2-Acetylamino-3-(...)Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C32H50N5O11PS/c1-18(2)16-25(32(43)44)35-28(39)23(13-15-50-6)34-30(41)26-8-7-14-37(26)31(42)27(19(3)4)36-29(40)24(33-20(5)38)17-21-9-11-22(12-10-21)48-49(45,46)47/h9-12,18-19,23-27H,7-8,13-17H2,1-6H3,(H,33,38)(H,34,41)(H,35,39)(H,36,40)(H,43,44)(H2,45,46,47)/t23-,24-,25-,26-,27-/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/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Affinity for SH2 domain of src in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50067644
(CHEMBL421929 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CCCCCCN(CCCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C31H53N4O8P/c1-7-9-11-13-19-35(20-14-12-10-8-2)31(39)23(5)32-30(38)28(22(3)4)34-29(37)27(33-24(6)36)21-25-15-17-26(18-16-25)43-44(40,41)42/h15-18,22-23,27-28H,7-14,19-21H2,1-6H3,(H,32,38)(H,33,36)(H,34,37)(H2,40,41,42)/t23-,27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity of the compound against abl SH2 domain of Platelet-derived growth factor receptor beta in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50067656
(CHEMBL137653 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CCCCCCCCN(CCCCCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C35H61N4O8P/c1-7-9-11-13-15-17-23-39(24-18-16-14-12-10-8-2)35(43)27(5)36-34(42)32(26(3)4)38-33(41)31(37-28(6)40)25-29-19-21-30(22-20-29)47-48(44,45)46/h19-22,26-27,31-32H,7-18,23-25H2,1-6H3,(H,36,42)(H,37,40)(H,38,41)(H2,44,45,46)/t27-,31-,32-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Affinity for SH2 domain of src in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50067643
(CHEMBL327958 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CCCCN(CCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C27H45N4O8P/c1-7-9-15-31(16-10-8-2)27(35)19(5)28-26(34)24(18(3)4)30-25(33)23(29-20(6)32)17-21-11-13-22(14-12-21)39-40(36,37)38/h11-14,18-19,23-24H,7-10,15-17H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)(H2,36,37,38)/t19-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity of the compound against abl SH2 domain of Platelet-derived growth factor receptor beta in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50067649
(CHEMBL539942 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H](C)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C27H37N4O8P/c1-17(2)24(27(35)29-18(3)25(33)28-15-14-20-8-6-5-7-9-20)31-26(34)23(30-19(4)32)16-21-10-12-22(13-11-21)39-40(36,37)38/h5-13,17-18,23-24H,14-16H2,1-4H3,(H,28,33)(H,29,35)(H,30,32)(H,31,34)(H2,36,37,38)/t18-,23+,24+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Affinity for SH2 domain of src in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50067647
((S)-2-{2-[((S)-1-{(S)-2-[(S)-2-Amino-3-(4-phosphon...)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C31H50N5O10P/c1-6-7-9-23(28(38)34-24(31(41)42)16-18(2)3)33-29(39)25-10-8-15-36(25)30(40)26(19(4)5)35-27(37)22(32)17-20-11-13-21(14-12-20)46-47(43,44)45/h11-14,18-19,22-26H,6-10,15-17,32H2,1-5H3,(H,33,39)(H,34,38)(H,35,37)(H,41,42)(H2,43,44,45)/t22-,23-,24-,25-,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Affinity for SH2 domain of src in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50067643
(CHEMBL327958 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CCCCN(CCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C27H45N4O8P/c1-7-9-15-31(16-10-8-2)27(35)19(5)28-26(34)24(18(3)4)30-25(33)23(29-20(6)32)17-21-11-13-22(14-12-21)39-40(36,37)38/h11-14,18-19,23-24H,7-10,15-17H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)(H2,36,37,38)/t19-,23-,24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Affinity for SH2 domain of src in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50067663
((S)-2-{(S)-2-[((S)-1-{(S)-2-[(S)-2-Amino-3-(4-phos...)Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C30H48N5O10PS/c1-17(2)15-23(30(40)41)33-27(37)22(12-14-47-5)32-28(38)24-7-6-13-35(24)29(39)25(18(3)4)34-26(36)21(31)16-19-8-10-20(11-9-19)45-46(42,43)44/h8-11,17-18,21-25H,6-7,12-16,31H2,1-5H3,(H,32,38)(H,33,37)(H,34,36)(H,40,41)(H2,42,43,44)/t21-,22-,23-,24-,25-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Affinity for SH2 domain of src in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50067659
(CHEMBL343050 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C27H37N4O8P/c1-17(2)24(27(35)29-18(3)25(33)28-15-14-20-8-6-5-7-9-20)31-26(34)23(30-19(4)32)16-21-10-12-22(13-11-21)39-40(36,37)38/h5-13,17-18,23-24H,14-16H2,1-4H3,(H,28,33)(H,29,35)(H,30,32)(H,31,34)(H2,36,37,38)/t18-,23-,24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Affinity for SH2 domain of src in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50067645
(CHEMBL136380 | Phosphoric acid mono-[4-((S)-2-acet...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCC1CCCCC1 Show InChI InChI=1S/C27H43N4O8P/c1-17(2)24(27(35)29-18(3)25(33)28-15-14-20-8-6-5-7-9-20)31-26(34)23(30-19(4)32)16-21-10-12-22(13-11-21)39-40(36,37)38/h10-13,17-18,20,23-24H,5-9,14-16H2,1-4H3,(H,28,33)(H,29,35)(H,30,32)(H,31,34)(H2,36,37,38)/t18-,23-,24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Affinity for SH2 domain of src in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50067662
(CHEMBL405059 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CCCCCN(CCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C29H49N4O8P/c1-7-9-11-17-33(18-12-10-8-2)29(37)21(5)30-28(36)26(20(3)4)32-27(35)25(31-22(6)34)19-23-13-15-24(16-14-23)41-42(38,39)40/h13-16,20-21,25-26H,7-12,17-19H2,1-6H3,(H,30,36)(H,31,34)(H,32,35)(H2,38,39,40)/t21-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity of the compound against abl SH2 domain of Platelet-derived growth factor receptor beta in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50067641
(CHEMBL136289 | Phosphoric acid mono-[4-((S)-2-acet...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H](C)C(=O)NCCC1CCCCC1 Show InChI InChI=1S/C27H43N4O8P/c1-17(2)24(27(35)29-18(3)25(33)28-15-14-20-8-6-5-7-9-20)31-26(34)23(30-19(4)32)16-21-10-12-22(13-11-21)39-40(36,37)38/h10-13,17-18,20,23-24H,5-9,14-16H2,1-4H3,(H,28,33)(H,29,35)(H,30,32)(H,31,34)(H2,36,37,38)/t18-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity of the compound against abl SH2 domain of Platelet-derived growth factor receptor beta in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50067649
(CHEMBL539942 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H](C)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C27H37N4O8P/c1-17(2)24(27(35)29-18(3)25(33)28-15-14-20-8-6-5-7-9-20)31-26(34)23(30-19(4)32)16-21-10-12-22(13-11-21)39-40(36,37)38/h5-13,17-18,23-24H,14-16H2,1-4H3,(H,28,33)(H,29,35)(H,30,32)(H,31,34)(H2,36,37,38)/t18-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity of the compound against abl SH2 domain of Platelet-derived growth factor receptor beta in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50067659
(CHEMBL343050 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C27H37N4O8P/c1-17(2)24(27(35)29-18(3)25(33)28-15-14-20-8-6-5-7-9-20)31-26(34)23(30-19(4)32)16-21-10-12-22(13-11-21)39-40(36,37)38/h5-13,17-18,23-24H,14-16H2,1-4H3,(H,28,33)(H,29,35)(H,30,32)(H,31,34)(H2,36,37,38)/t18-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity of the compound against abl SH2 domain of Platelet-derived growth factor receptor beta in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50067656
(CHEMBL137653 | Phosphoric acid mono-(4-{(S)-2-acet...)Show SMILES CCCCCCCCN(CCCCCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C35H61N4O8P/c1-7-9-11-13-15-17-23-39(24-18-16-14-12-10-8-2)35(43)27(5)36-34(42)32(26(3)4)38-33(41)31(37-28(6)40)25-29-19-21-30(22-20-29)47-48(44,45)46/h19-22,26-27,31-32H,7-18,23-25H2,1-6H3,(H,36,42)(H,37,40)(H,38,41)(H2,44,45,46)/t27-,31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity of the compound against abl SH2 domain of Platelet-derived growth factor receptor beta in Sf9 insect cells |
J Med Chem 41: 4329-42 (1998)
Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K |
More data for this
Ligand-Target Pair | |
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