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 |
GTPase KRas
(Homo sapiens (Human)) | BDBM50436053
(CHEMBL2396992)Show InChI InChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of KRas (unknown origin) by nucleotide release assay |
Bioorg Med Chem Lett 25: 2461-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.089 BindingDB Entry DOI: 10.7270/Q2SF2XVC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
GTPase KRas
(Homo sapiens (Human)) | BDBM50088363
(CHEMBL2086796)Show SMILES O=C(Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C21H21N5O/c27-21(18-6-3-9-22-18)24-14-7-8-17-19(11-14)26-20(25-17)10-13-12-23-16-5-2-1-4-15(13)16/h1-2,4-5,7-8,11-12,18,22-23H,3,6,9-10H2,(H,24,27)(H,25,26)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 3.40E+5 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to KRas (unknown origin) |
Bioorg Med Chem Lett 25: 2461-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.089 BindingDB Entry DOI: 10.7270/Q2SF2XVC |
More data for this Ligand-Target Pair | |
DNA repair protein RAD51 homolog 1
(Homo sapiens (Human)) | BDBM50088345
(CHEMBL3427780)Show SMILES O=C(OCCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H24N2O3/c29-25(20-11-5-2-6-12-20)28-24(17-21-18-27-23-14-8-7-13-22(21)23)26(30)31-16-15-19-9-3-1-4-10-19/h1-14,18,24,27H,15-17H2,(H,28,29)/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to RAD51 (unknown origin) by isothermal calorimetry |
Bioorg Med Chem Lett 25: 2461-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.089 BindingDB Entry DOI: 10.7270/Q2SF2XVC |
More data for this Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50088354
(CHEMBL2086795)Show SMILES CC[C@H](C)[C@H](N)C(=O)Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1 |r| Show InChI InChI=1S/C22H25N5O/c1-3-13(2)21(23)22(28)25-15-8-9-18-19(11-15)27-20(26-18)10-14-12-24-17-7-5-4-6-16(14)17/h4-9,11-13,21,24H,3,10,23H2,1-2H3,(H,25,28)(H,26,27)/t13-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 1.90E+5 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to KRas (unknown origin) |
Bioorg Med Chem Lett 25: 2461-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.089 BindingDB Entry DOI: 10.7270/Q2SF2XVC |
More data for this Ligand-Target Pair | |
DNA repair protein RAD51 homolog 1
(Homo sapiens (Human)) | BDBM50088346
(CHEMBL3427779)Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCCc1ccccc1 |r| Show InChI InChI=1S/C19H20N2O2/c20-17(12-15-13-21-18-9-5-4-8-16(15)18)19(22)23-11-10-14-6-2-1-3-7-14/h1-9,13,17,21H,10-12,20H2/t17-/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 | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to RAD51 (unknown origin) by isothermal calorimetry |
Bioorg Med Chem Lett 25: 2461-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.089 BindingDB Entry DOI: 10.7270/Q2SF2XVC |
More data for this Ligand-Target Pair | |
DNA repair protein RAD51 homolog 1
(Homo sapiens (Human)) | BDBM32212
(1H-indol-5-ol | cid_16054)Show InChI InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 2.10E+6 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to RAD51 (unknown origin) by isothermal calorimetry |
Bioorg Med Chem Lett 25: 2461-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.089 BindingDB Entry DOI: 10.7270/Q2SF2XVC |
More data for this Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50088364
(CHEMBL2396993)Show InChI InChI=1S/C17H15N3/c1-11-13(12-6-2-3-7-14(12)18-11)10-17-19-15-8-4-5-9-16(15)20-17/h2-9,18H,10H2,1H3,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.00E+6 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to KRas (unknown origin) |
Bioorg Med Chem Lett 25: 2461-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.089 BindingDB Entry DOI: 10.7270/Q2SF2XVC |
More data for this Ligand-Target Pair | |
DNA repair protein RAD51 homolog 1
(Homo sapiens (Human)) | BDBM50088343
(CHEMBL3427781)Show InChI InChI=1S/C14H12BrClN2O2S2/c15-11-7-13(21-14(11)16)22(19,20)18-6-5-9-8-17-12-4-2-1-3-10(9)12/h1-4,7-8,17-18H,5-6H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to RAD51 (unknown origin) by isothermal calorimetry |
Bioorg Med Chem Lett 25: 2461-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.089 BindingDB Entry DOI: 10.7270/Q2SF2XVC |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2
(Homo sapiens (Human)) | BDBM50030942
(CHEMBL3356574)Show InChI InChI=1S/C14H12N4/c15-12-8-4-7-11(9-12)14-16-13(17-18-14)10-5-2-1-3-6-10/h1-9H,15H2,(H,16,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 3.50E+5 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to ATAD2 (unknown origin) by protein-observe NMR spectroscopy |
Bioorg Med Chem Lett 25: 2461-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.089 BindingDB Entry DOI: 10.7270/Q2SF2XVC |
More data for this Ligand-Target Pair | |
DNA repair protein RAD51 homolog 1
(Homo sapiens (Human)) | BDBM93044
(L-Methyl ester tryptophan, 8)Show InChI InChI=1S/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 5.70E+5 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to RAD51 (unknown origin) by isothermal calorimetry |
Bioorg Med Chem Lett 25: 2461-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.089 BindingDB Entry DOI: 10.7270/Q2SF2XVC |
More data for this Ligand-Target Pair | |