Found 3 hits Enz. Inhib. hit(s) with Target = 'Arginase-1' and Ligand = 'BDBM50538525' 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 |
Arginase-1
(Homo sapiens (Human)) | BDBM50538525
(CHEMBL4647364)Show SMILES [H][C@]12CN(C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O)C(=O)[C@H](C)N |r| Show InChI InChI=1S/C14H26BN3O5/c1-8(16)12(19)18-6-9-5-14(17,13(20)21)11(10(9)7-18)3-2-4-15(22)23/h8-11,22-23H,2-7,16-17H2,1H3,(H,20,21)/t8-,9-,10+,11-,14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human Arg1 |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115658 BindingDB Entry DOI: 10.7270/Q2WS8XZC |
More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50538525
(CHEMBL4647364)Show SMILES [H][C@]12CN(C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O)C(=O)[C@H](C)N |r| Show InChI InChI=1S/C14H26BN3O5/c1-8(16)12(19)18-6-9-5-14(17,13(20)21)11(10(9)7-18)3-2-4-15(22)23/h8-11,22-23H,2-7,16-17H2,1H3,(H,20,21)/t8-,9-,10+,11-,14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description Inhibition of human arginase1 in presence of DNTB by thio ornithine generation assay |
ACS Med Chem Lett 11: 582-588 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00058 BindingDB Entry DOI: 10.7270/Q26113VN |
More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50538525
(CHEMBL4647364)Show SMILES [H][C@]12CN(C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O)C(=O)[C@H](C)N |r| Show InChI InChI=1S/C14H26BN3O5/c1-8(16)12(19)18-6-9-5-14(17,13(20)21)11(10(9)7-18)3-2-4-15(22)23/h8-11,22-23H,2-7,16-17H2,1H3,(H,20,21)/t8-,9-,10+,11-,14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human Arg1 by TOGA assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115658 BindingDB Entry DOI: 10.7270/Q2WS8XZC |
More data for this Ligand-Target Pair | |