Affinity Data by PDB ID

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PDB code 4LAU

Identical Ligands in BindingDB

Found 3 hits 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Aldose reductase (315/316 > 99%)^† (Homo sapiens (Human))	BDBM104020 (MK181) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of human ALR2				J Med Chem 61: 6401-6420 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GWQ
Pfizer Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (315/316 > 99%)^† (Homo sapiens (Human))	BDBM104020 (MK181) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	7.0	25
Academy of Sciences of the Czech Republic					Assay Description The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...				ACS Chem Biol 8: 2484-92 (2013) Article DOI: 10.1021/cb400526n BindingDB Entry DOI: 10.7270/Q2HH6HQB
Academy of Sciences of the Czech Republic					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (315/316 > 99%)^† (Homo sapiens (Human))	BDBM104020 (MK181) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	710	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)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output