Found 10 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 |
|---|
Growth factor receptor-bound protein 2
(Homo sapiens (Human)) | BDBM50064333
(CHEMBL49860 | Phosphoric acid mono-(2-amino-4-{2-a...)Show SMILES NC(Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)NC1(CCCCC1)C(=O)NC(CC(N)=O)C(N)=O Show InChI InChI=1S/C20H31N6O8P/c21-12-8-11(4-5-15(12)34-35(31,32)33)9-13(22)18(29)26-20(6-2-1-3-7-20)19(30)25-14(17(24)28)10-16(23)27/h4-5,8,13-14H,1-3,6-7,9-10,21-22H2,(H2,23,27)(H2,24,28)(H,25,30)(H,26,29)(H2,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.00400 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of binding to Growth factor receptor bound protein 2 (Grb2) SH2 domain |
J Med Chem 41: 1741-4 (1998)
Article DOI: 10.1021/jm970856n
BindingDB Entry DOI: 10.7270/Q2M32TWK |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Growth factor receptor-bound protein 2
(Homo sapiens (Human)) | BDBM50064333
(CHEMBL49860 | Phosphoric acid mono-(2-amino-4-{2-a...)Show SMILES NC(Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)NC1(CCCCC1)C(=O)NC(CC(N)=O)C(N)=O Show InChI InChI=1S/C20H31N6O8P/c21-12-8-11(4-5-15(12)34-35(31,32)33)9-13(22)18(29)26-20(6-2-1-3-7-20)19(30)25-14(17(24)28)10-16(23)27/h4-5,8,13-14H,1-3,6-7,9-10,21-22H2,(H2,23,27)(H2,24,28)(H,25,30)(H,26,29)(H2,31,32,33) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of binding to Grb2 SH2 domain |
J Med Chem 41: 1741-4 (1998)
Article DOI: 10.1021/jm970856n
BindingDB Entry DOI: 10.7270/Q2M32TWK |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50064333
(CHEMBL49860 | Phosphoric acid mono-(2-amino-4-{2-a...)Show SMILES NC(Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)NC1(CCCCC1)C(=O)NC(CC(N)=O)C(N)=O Show InChI InChI=1S/C20H31N6O8P/c21-12-8-11(4-5-15(12)34-35(31,32)33)9-13(22)18(29)26-20(6-2-1-3-7-20)19(30)25-14(17(24)28)10-16(23)27/h4-5,8,13-14H,1-3,6-7,9-10,21-22H2,(H2,23,27)(H2,24,28)(H,25,30)(H,26,29)(H2,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of interaction between the activated tyrosine kinase receptors and Shp2 SH2 domains in the Ras signal transduction pathway. |
J Med Chem 41: 1741-4 (1998)
Article DOI: 10.1021/jm970856n
BindingDB Entry DOI: 10.7270/Q2M32TWK |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 2
(Homo sapiens (Human)) | BDBM50064333
(CHEMBL49860 | Phosphoric acid mono-(2-amino-4-{2-a...)Show SMILES NC(Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)NC1(CCCCC1)C(=O)NC(CC(N)=O)C(N)=O Show InChI InChI=1S/C20H31N6O8P/c21-12-8-11(4-5-15(12)34-35(31,32)33)9-13(22)18(29)26-20(6-2-1-3-7-20)19(30)25-14(17(24)28)10-16(23)27/h4-5,8,13-14H,1-3,6-7,9-10,21-22H2,(H2,23,27)(H2,24,28)(H,25,30)(H,26,29)(H2,31,32,33) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of binding to SH2 domain of SHC-PTB |
J Med Chem 41: 1741-4 (1998)
Article DOI: 10.1021/jm970856n
BindingDB Entry DOI: 10.7270/Q2M32TWK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50064333
(CHEMBL49860 | Phosphoric acid mono-(2-amino-4-{2-a...)Show SMILES NC(Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)NC1(CCCCC1)C(=O)NC(CC(N)=O)C(N)=O Show InChI InChI=1S/C20H31N6O8P/c21-12-8-11(4-5-15(12)34-35(31,32)33)9-13(22)18(29)26-20(6-2-1-3-7-20)19(30)25-14(17(24)28)10-16(23)27/h4-5,8,13-14H,1-3,6-7,9-10,21-22H2,(H2,23,27)(H2,24,28)(H,25,30)(H,26,29)(H2,31,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.24 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of binding to p56 Lck tyrosine kinase SH2 domain |
J Med Chem 41: 1741-4 (1998)
Article DOI: 10.1021/jm970856n
BindingDB Entry DOI: 10.7270/Q2M32TWK |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 2
(Homo sapiens (Human)) | BDBM50064336
(CHEMBL2372811 | Phosphoric acid mono-(2-amino-4-{2...)Show SMILES N[C@@H](Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C19H29N6O8P/c20-11-7-10(3-4-14(11)33-34(30,31)32)8-12(21)17(28)25-19(5-1-2-6-19)18(29)24-13(16(23)27)9-15(22)26/h3-4,7,12-13H,1-2,5-6,8-9,20-21H2,(H2,22,26)(H2,23,27)(H,24,29)(H,25,28)(H2,30,31,32)/t12-,13-/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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of binding to Grb2 SH2 domain |
J Med Chem 41: 1741-4 (1998)
Article DOI: 10.1021/jm970856n
BindingDB Entry DOI: 10.7270/Q2M32TWK |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 2
(Homo sapiens (Human)) | BDBM50064334
(CHEMBL2372812 | Phosphoric acid mono-(2-amino-4-{2...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)N[C@@H](CC(N)=O)C(N)=O Show InChI InChI=1S/C19H31N6O8P/c1-3-9(2)16(19(29)24-13(17(23)27)8-15(22)26)25-18(28)12(21)7-10-4-5-14(11(20)6-10)33-34(30,31)32/h4-6,9,12-13,16H,3,7-8,20-21H2,1-2H3,(H2,22,26)(H2,23,27)(H,24,29)(H,25,28)(H2,30,31,32)/t9-,12-,13-,16-/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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of binding to Grb2 SH2 domain |
J Med Chem 41: 1741-4 (1998)
Article DOI: 10.1021/jm970856n
BindingDB Entry DOI: 10.7270/Q2M32TWK |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 2
(Homo sapiens (Human)) | BDBM50064337
(CHEMBL2372814 | Phosphoric acid mono-(2-amino-4-{2...)Show SMILES N[C@@H](Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)NC1(CC1)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C17H25N6O8P/c18-9-5-8(1-2-12(9)31-32(28,29)30)6-10(19)15(26)23-17(3-4-17)16(27)22-11(14(21)25)7-13(20)24/h1-2,5,10-11H,3-4,6-7,18-19H2,(H2,20,24)(H2,21,25)(H,22,27)(H,23,26)(H2,28,29,30)/t10-,11-/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 | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of binding to Grb2 SH2 domain |
J Med Chem 41: 1741-4 (1998)
Article DOI: 10.1021/jm970856n
BindingDB Entry DOI: 10.7270/Q2M32TWK |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 2
(Homo sapiens (Human)) | BDBM50064335
(CHEMBL49752 | Phosphoric acid mono-(2-amino-4-{2-a...)Show SMILES NC(Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)NC1(Cc2ccccc2C1)C(=O)NC(CC(N)=O)C(N)=O Show InChI InChI=1S/C23H29N6O8P/c24-15-7-12(5-6-18(15)37-38(34,35)36)8-16(25)21(32)29-23(10-13-3-1-2-4-14(13)11-23)22(33)28-17(20(27)31)9-19(26)30/h1-7,16-17H,8-11,24-25H2,(H2,26,30)(H2,27,31)(H,28,33)(H,29,32)(H2,34,35,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of binding to Grb2 SH2 domain |
J Med Chem 41: 1741-4 (1998)
Article DOI: 10.1021/jm970856n
BindingDB Entry DOI: 10.7270/Q2M32TWK |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 2
(Homo sapiens (Human)) | BDBM50064338
(CHEMBL2372813 | Phosphoric acid mono-(2-amino-4-{2...)Show SMILES CC(C)(NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C17H27N6O8P/c1-17(2,16(27)22-11(14(21)25)7-13(20)24)23-15(26)10(19)6-8-3-4-12(9(18)5-8)31-32(28,29)30/h3-5,10-11H,6-7,18-19H2,1-2H3,(H2,20,24)(H2,21,25)(H,22,27)(H,23,26)(H2,28,29,30)/t10-,11-/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 | 206 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of binding to Grb2 SH2 domain |
J Med Chem 41: 1741-4 (1998)
Article DOI: 10.1021/jm970856n
BindingDB Entry DOI: 10.7270/Q2M32TWK |
More data for this
Ligand-Target Pair | |
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