Found 7 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 |
Biotin--protein ligase
(Homo sapiens (Human)) | BDBM50039493
(CHEMBL3357333)Show SMILES [NH4+].[H][C@]12CS[C@@H](CCCCC(=O)CP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C21H30N7O8PS/c22-18-15-19(24-8-23-18)28(9-25-15)20-17(31)16(30)12(36-20)5-35-37(33,34)6-10(29)3-1-2-4-13-14-11(7-38-13)26-21(32)27-14/h8-9,11-14,16-17,20,30-31H,1-7H2,(H,33,34)(H2,22,23,24)(H2,26,27,32)/p-1/t11-,12+,13-,14-,16+,17+,20+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska-Lincoln
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HLCS using P67 as substrate after 2 hrs relative to vehicle-treated control |
Bioorg Med Chem Lett 24: 5568-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.010 BindingDB Entry DOI: 10.7270/Q2W097KM |
More data for this Ligand-Target Pair | |
Biotin--protein ligase
(Homo sapiens (Human)) | BDBM50039494
(CHEMBL3357334)Show SMILES [NH4+].[H][C@]12CS[C@@H](CCCCC(O)CP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C21H32N7O8PS/c22-18-15-19(24-8-23-18)28(9-25-15)20-17(31)16(30)12(36-20)5-35-37(33,34)6-10(29)3-1-2-4-13-14-11(7-38-13)26-21(32)27-14/h8-14,16-17,20,29-31H,1-7H2,(H,33,34)(H2,22,23,24)(H2,26,27,32)/p-1/t10?,11-,12+,13-,14-,16+,17+,20+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska-Lincoln
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HLCS using P67 as substrate after 2 hrs relative to vehicle-treated control |
Bioorg Med Chem Lett 24: 5568-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.010 BindingDB Entry DOI: 10.7270/Q2W097KM |
More data for this Ligand-Target Pair | |
Biotin--protein ligase
(Homo sapiens (Human)) | BDBM50039492
(CHEMBL1231498)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H30N7O8PS/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(29)15(28)11(35-19)6-34-36(31,32)33-5-3-1-2-4-12-13-10(7-37-12)25-20(30)26-13/h8-13,15-16,19,28-29H,1-7H2,(H,31,32)(H2,21,22,23)(H2,25,26,30)/t10-,11+,12-,13-,15+,16+,19+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 7.54E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska-Lincoln
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HLCS using P67 as substrate after 2 hrs relative to vehicle-treated control |
Bioorg Med Chem Lett 24: 5568-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.010 BindingDB Entry DOI: 10.7270/Q2W097KM |
More data for this Ligand-Target Pair | |
Biotin--protein ligase
(Homo sapiens (Human)) | BDBM50039492
(CHEMBL1231498)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H30N7O8PS/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(29)15(28)11(35-19)6-34-36(31,32)33-5-3-1-2-4-12-13-10(7-37-12)25-20(30)26-13/h8-13,15-16,19,28-29H,1-7H2,(H,31,32)(H2,21,22,23)(H2,25,26,30)/t10-,11+,12-,13-,15+,16+,19+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska-Lincoln
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HLCS using P67 as substrate after 2 hrs relative to vehicle-treated control |
Bioorg Med Chem Lett 24: 5568-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.010 BindingDB Entry DOI: 10.7270/Q2W097KM |
More data for this Ligand-Target Pair | |
Biotin--protein ligase
(Homo sapiens (Human)) | BDBM50039493
(CHEMBL3357333)Show SMILES [NH4+].[H][C@]12CS[C@@H](CCCCC(=O)CP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C21H30N7O8PS/c22-18-15-19(24-8-23-18)28(9-25-15)20-17(31)16(30)12(36-20)5-35-37(33,34)6-10(29)3-1-2-4-13-14-11(7-38-13)26-21(32)27-14/h8-9,11-14,16-17,20,30-31H,1-7H2,(H,33,34)(H2,22,23,24)(H2,26,27,32)/p-1/t11-,12+,13-,14-,16+,17+,20+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska-Lincoln
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HLCS using P67 as substrate after 2 hrs relative to vehicle-treated control |
Bioorg Med Chem Lett 24: 5568-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.010 BindingDB Entry DOI: 10.7270/Q2W097KM |
More data for this Ligand-Target Pair | |
Biotin--protein ligase
(Homo sapiens (Human)) | BDBM50039494
(CHEMBL3357334)Show SMILES [NH4+].[H][C@]12CS[C@@H](CCCCC(O)CP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C21H32N7O8PS/c22-18-15-19(24-8-23-18)28(9-25-15)20-17(31)16(30)12(36-20)5-35-37(33,34)6-10(29)3-1-2-4-13-14-11(7-38-13)26-21(32)27-14/h8-14,16-17,20,29-31H,1-7H2,(H,33,34)(H2,22,23,24)(H2,26,27,32)/p-1/t10?,11-,12+,13-,14-,16+,17+,20+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.04E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska-Lincoln
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HLCS using P67 as substrate after 2 hrs relative to vehicle-treated control |
Bioorg Med Chem Lett 24: 5568-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.010 BindingDB Entry DOI: 10.7270/Q2W097KM |
More data for this Ligand-Target Pair | |
Bifunctional ligase/repressor BirA
(Escherichia coli) | BDBM50039492
(CHEMBL1231498)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H30N7O8PS/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(29)15(28)11(35-19)6-34-36(31,32)33-5-3-1-2-4-12-13-10(7-37-12)25-20(30)26-13/h8-13,15-16,19,28-29H,1-7H2,(H,31,32)(H2,21,22,23)(H2,25,26,30)/t10-,11+,12-,13-,15+,16+,19+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a |
University of Nebraska-Lincoln
Curated by ChEMBL
| Assay Description Binding affinity to Escherichia coli biotin protein ligase |
Bioorg Med Chem Lett 24: 5568-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.010 BindingDB Entry DOI: 10.7270/Q2W097KM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |