BDBM50149294 CHEMBL3769578
SMILES: CC(C)(C)c1ccc(CC[C@@](O)(CC(O)=O)C(O)=O)cc1
InChI Key: InChIKey=QNFWRHKLBLSSPB-MRXNPFEDSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Solute carrier family 13 member 5 (Homo sapiens (Human)) | BDBM50149294 (CHEMBL3769578) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 1.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method | J Med Chem 59: 1165-75 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NRC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Solute carrier family 13 member 2 (Homo sapiens (Human)) | BDBM50149294 (CHEMBL3769578) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of NaDC1 (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis | J Med Chem 59: 1165-75 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NRC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 13 member 5 (Homo sapiens (Human)) | BDBM50149294 (CHEMBL3769578) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis | J Med Chem 59: 1165-75 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NRC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Solute carrier family 13 member 5 (Homo sapiens (Human)) | BDBM50149294 (CHEMBL3769578) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis | J Med Chem 59: 1165-75 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NRC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Solute carrier family 13 member 5 (Homo sapiens (Human)) | BDBM50149294 (CHEMBL3769578) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method | J Med Chem 59: 1165-75 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NRC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Solute carrier family 13 member 3 (Homo sapiens (Human)) | BDBM50149294 (CHEMBL3769578) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of NaDC3 (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis | J Med Chem 59: 1165-75 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NRC | |||||||||||
More data for this Ligand-Target Pair |