BDBM50530228 CHEMBL4483485
SMILES: C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O
InChI Key: InChIKey=WUDUKXMVLMXYCW-ZNLUXHQJSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carboxypeptidase A1 (Homo sapiens (Human)) | BDBM50530228 (CHEMBL4483485) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 0.107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet... | J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carboxypeptidase A1 (Homo sapiens (Human)) | BDBM50530228 (CHEMBL4483485) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 0.107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet... | J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carboxypeptidase A1 (Homo sapiens (Human)) | BDBM50530228 (CHEMBL4483485) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry | J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carboxypeptidase A1 (Homo sapiens (Human)) | BDBM50530228 (CHEMBL4483485) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry | J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carboxypeptidase A1 (Homo sapiens (Human)) | BDBM50530228 (CHEMBL4483485) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra... | J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carboxypeptidase A1 (Homo sapiens (Human)) | BDBM50530228 (CHEMBL4483485) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra... | J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carboxypeptidase A2 (Homo sapiens) | BDBM50530228 (CHEMBL4483485) | PDB Reactome pathway UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of human CPA2 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet... | J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxypeptidase A2 (Homo sapiens) | BDBM50530228 (CHEMBL4483485) | PDB Reactome pathway UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of human CPA2 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet... | J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxypeptidase A4 (Homo sapiens) | BDBM50530228 (CHEMBL4483485) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of human CPA4 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet... | J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxypeptidase A4 (Homo sapiens) | BDBM50530228 (CHEMBL4483485) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of human CPA4 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet... | J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 | |||||||||||
More data for this Ligand-Target Pair |