BDBM200220 2-(5-chloro-2-((2,4,6-tribromobenzyl)carbamoyl)phenoxy)acetic acid::MK184
SMILES: OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)cc(Br)cc1Br
InChI Key: InChIKey=MOXQMGQGUBSXPN-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldose reductase (AR) (Homo sapiens (Human)) | BDBM200220![]() (2-(5-chloro-2-((2,4,6-tribromobenzyl)carbamoyl)phe...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 2.14E+4 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire | Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ... | ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Methylated AKR1B10 K125R/V301L (AKME2MU) (Homo sapiens (Human)) | BDBM200220![]() (2-(5-chloro-2-((2,4,6-tribromobenzyl)carbamoyl)phe...) | PDB GoogleScholar | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire | Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ... | ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human)) | BDBM200220![]() (2-(5-chloro-2-((2,4,6-tribromobenzyl)carbamoyl)phe...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 430 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire | Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ... | ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human)) | BDBM200220![]() (2-(5-chloro-2-((2,4,6-tribromobenzyl)carbamoyl)phe...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire | Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ... | ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |