Found 110 hits with Last Name = 'buchanan' and Initial = 'a' 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 |
Metallo-beta-lactamase L1 type 3
(Stenotrophomonas maltophilia) | BDBM50140666
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CS)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50140673
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...)Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM50157692
(CHEMBL1439 | CL-307579 | Sodium; (2S,3S,5R)-3-meth...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O[Na] |r| Show InChI InChI=1S/C10H12N4O5S.Na/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19;/h2-3,7-8H,4-5H2,1H3,(H,16,17);/q;+1/p-1/t7-,8+,10+;/m1./s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representative class A (TEM-1) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM3032
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of EGFR |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase L1 type 3
(Stenotrophomonas maltophilia) | BDBM50140668
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CS)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50140668
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CS)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50271758
(CHEMBL485320 | N4-(3-Bromophenyl)-6-(2-phenylethyl...)Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1 Show InChI InChI=1S/C20H18BrN5/c21-14-7-4-8-15(11-14)23-18-17-12-16(24-19(17)26-20(22)25-18)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H4,22,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of EGFR |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM50076678
((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5+,7-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representative class A (TEM-1) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50271850
(CHEMBL483313 | N4-(4-chloro-2-fluorophenyl)-6-(2-p...)Show SMILES Nc1nc(Nc2ccc(Cl)cc2F)c2cc(CCc3ccccc3)[nH]c2n1 Show InChI InChI=1S/C20H17ClFN5/c21-13-7-9-17(16(22)10-13)25-19-15-11-14(24-18(15)26-20(23)27-19)8-6-12-4-2-1-3-5-12/h1-5,7,9-11H,6,8H2,(H4,23,24,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of EGFR |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50140669
((2S,5R,6S)-6-Mercapto-3,3-dimethyl-4,4,7-trioxo-4l...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](S)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S2/c1-8(2)4(7(11)12)9-5(10)3(15)6(9)16(8,13)14/h3-4,6,15H,1-2H3,(H,11,12)/t3-,4-,6+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL 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 |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50140666
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CS)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL 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 |
Southern Methodist University
Curated by ChEMBL
| Assay Description Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50140667
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...)Show SMILES CC1(C)S[C@@H]2[C@@H](CS)C(=O)N2[C@H]1C(O)=O Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50076678
((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5+,7-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM33408
(AG1295 | CHEMBL7724 | cid_2048)Show InChI InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of PDGFRbeta |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM50140666
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CS)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representative class A (TEM-1) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50140668
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CS)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase L1 type 3
(Stenotrophomonas maltophilia) | BDBM50140669
((2S,5R,6S)-6-Mercapto-3,3-dimethyl-4,4,7-trioxo-4l...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](S)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S2/c1-8(2)4(7(11)12)9-5(10)3(15)6(9)16(8,13)14/h3-4,6,15H,1-2H3,(H,11,12)/t3-,4-,6+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase L1 type 3
(Stenotrophomonas maltophilia) | BDBM26116
(CHEMBL284104 | Dipicolinate | pyridine carboxylate...)Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50140670
((2S,5R,6S)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...)Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4-,6+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50318162
(CHEMBL1094423 | N-(3-bromophenyl)-6-(2-phenylethyl...)Show InChI InChI=1S/C20H17BrN4/c21-15-7-4-8-16(11-15)24-19-18-12-17(25-20(18)23-13-22-19)10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H2,22,23,24,25) | 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 | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of PDGFRbeta |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50076672
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CO)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50140666
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CS)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4810
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50140667
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...)Show SMILES CC1(C)S[C@@H]2[C@@H](CS)C(=O)N2[C@H]1C(O)=O Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase L1 type 3
(Stenotrophomonas maltophilia) | BDBM50140667
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...)Show SMILES CC1(C)S[C@@H]2[C@@H](CS)C(=O)N2[C@H]1C(O)=O Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50271758
(CHEMBL485320 | N4-(3-Bromophenyl)-6-(2-phenylethyl...)Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1 Show InChI InChI=1S/C20H18BrN5/c21-14-7-4-8-15(11-14)23-18-17-12-16(24-19(17)26-20(22)25-18)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H4,22,23,24,25,26) | 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 | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of PDGFRbeta |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM50076672
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CO)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representative class A (TEM-1) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50140670
((2S,5R,6S)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...)Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4-,6+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM4621
(Anilinoquinazoline deriv. 4 | CHEMBL150315 | N-(4-...)Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR1 |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM26116
(CHEMBL284104 | Dipicolinate | pyridine carboxylate...)Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318164
(6-(2-Phenylethyl)-N-[3-(trifluoromethyl)phenyl]-7H...)Show SMILES FC(F)(F)c1cccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)c1 Show InChI InChI=1S/C21H17F3N4/c22-21(23,24)15-7-4-8-16(11-15)27-19-18-12-17(28-20(18)26-13-25-19)10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H2,25,26,27,28) | 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 | 2.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50271803
(CHEMBL483108 | N4-(3-bromo-4-fluorophenyl)-6-(2-ph...)Show SMILES Nc1nc(Nc2ccc(F)c(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1 Show InChI InChI=1S/C20H17BrFN5/c21-16-11-14(8-9-17(16)22)25-19-15-10-13(24-18(15)26-20(23)27-19)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H4,23,24,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of EGFR |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50271905
(CHEMBL499067 | N4-(1H-indol-5-yl)-6-phenethyl-7H-p...)Show SMILES Nc1nc(Nc2ccc3[nH]ccc3c2)c2cc(CCc3ccccc3)[nH]c2n1 Show InChI InChI=1S/C22H20N6/c23-22-27-20(25-16-8-9-19-15(12-16)10-11-24-19)18-13-17(26-21(18)28-22)7-6-14-4-2-1-3-5-14/h1-5,8-13,24H,6-7H2,(H4,23,25,26,27,28) | 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 | 2.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318165
(CHEMBL1096737 | N-(3-bromo-4-flurophenyl)-6-(2-phe...)Show InChI InChI=1S/C20H16BrFN4/c21-17-11-15(8-9-18(17)22)26-20-16-10-14(25-19(16)23-12-24-20)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H2,23,24,25,26) | 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 | 2.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318168
(CHEMBL1097368 | N-1H-indol-5-yl-6-(2-phenylethyl)-...)Show SMILES C(Cc1ccccc1)c1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2[nH]1 Show InChI InChI=1S/C22H19N5/c1-2-4-15(5-3-1)6-7-18-13-19-21(24-14-25-22(19)27-18)26-17-8-9-20-16(12-17)10-11-23-20/h1-5,8-14,23H,6-7H2,(H2,24,25,26,27) | 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 | 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase L1 type 3
(Stenotrophomonas maltophilia) | BDBM50140673
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...)Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50140673
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...)Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase L1 type 3
(Stenotrophomonas maltophilia) | BDBM50140670
((2S,5R,6S)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...)Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4-,6+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318167
(CHEMBL1096416 | N-(4-chloro-2-fluorophenyl)-6-(2-p...)Show InChI InChI=1S/C20H16ClFN4/c21-14-7-9-18(17(22)10-14)26-20-16-11-15(25-19(16)23-12-24-20)8-6-13-4-2-1-3-5-13/h1-5,7,9-12H,6,8H2,(H2,23,24,25,26) | 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 | 4.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50140665
((2S,5R,6R)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...)Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4+,6-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase L1 type 3
(Stenotrophomonas maltophilia) | BDBM50140665
((2S,5R,6R)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...)Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4+,6-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50140665
((2S,5R,6R)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...)Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4+,6-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50271758
(CHEMBL485320 | N4-(3-Bromophenyl)-6-(2-phenylethyl...)Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1 Show InChI InChI=1S/C20H18BrN5/c21-14-7-4-8-15(11-14)23-18-17-12-16(24-19(17)26-20(22)25-18)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H4,22,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR1 |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318163
(CHEMBL1096972 | N-(3-ethynylphenyl)-6-(2-phenyleth...)Show InChI InChI=1S/C22H18N4/c1-2-16-9-6-10-18(13-16)25-21-20-14-19(26-22(20)24-15-23-21)12-11-17-7-4-3-5-8-17/h1,3-10,13-15H,11-12H2,(H2,23,24,25,26) | 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 | 4.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50271758
(CHEMBL485320 | N4-(3-Bromophenyl)-6-(2-phenylethyl...)Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1 Show InChI InChI=1S/C20H18BrN5/c21-14-7-4-8-15(11-14)23-18-17-12-16(24-19(17)26-20(22)25-18)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H4,22,23,24,25,26) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM50140668
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CS)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representative class A (TEM-1) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50157692
(CHEMBL1439 | CL-307579 | Sodium; (2S,3S,5R)-3-meth...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O[Na] |r| Show InChI InChI=1S/C10H12N4O5S.Na/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19;/h2-3,7-8H,4-5H2,1H3,(H,16,17);/q;+1/p-1/t7-,8+,10+;/m1./s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50318168
(CHEMBL1097368 | N-1H-indol-5-yl-6-(2-phenylethyl)-...)Show SMILES C(Cc1ccccc1)c1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2[nH]1 Show InChI InChI=1S/C22H19N5/c1-2-4-15(5-3-1)6-7-18-13-19-21(24-14-25-22(19)27-18)26-17-8-9-20-16(12-17)10-11-23-20/h1-5,8-14,23H,6-7H2,(H2,24,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of EGFR |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318166
(CHEMBL1096415 | N-[4-fluoro-3-(trifluoromethyl)phe...)Show SMILES Fc1ccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)cc1C(F)(F)F Show InChI InChI=1S/C21H16F4N4/c22-18-9-8-15(11-17(18)21(23,24)25)29-20-16-10-14(28-19(16)26-12-27-20)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H2,26,27,28,29) | 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 | 5.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM50140669
((2S,5R,6S)-6-Mercapto-3,3-dimethyl-4,4,7-trioxo-4l...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](S)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S2/c1-8(2)4(7(11)12)9-5(10)3(15)6(9)16(8,13)14/h3-4,6,15H,1-2H3,(H,11,12)/t3-,4-,6+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Beta-Lactamase inhibitory activity against representative class A (TEM-1) serine enzyme |
Bioorg Med Chem Lett 14: 1299-304 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG |
More data for this Ligand-Target Pair | |