Affinity Data by PubMed id=28287700

PubMed code 28287700

Found 7 hits of 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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM228821 (ALR2 inhibitor, 8) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	23	n/a	n/a	n/a	8.5	n/a
Philipps-Universit�t Marburg					Assay Description The anti-His antibody (His Capture Kit, GE Healthcare) was immobilized on sensor chip CM5 (GE Healthcare), in a Biacore T200 or Biacore S200 instrume...				ACS Chem Biol 12: 1397-1415 (2017) Article DOI: 10.1021/acschembio.7b00062 BindingDB Entry DOI: 10.7270/Q2416VXX
Philipps-Universit�t Marburg					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM228819 (Minalrestat (2)) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	5.5	n/a	n/a	n/a	8.5	n/a
Philipps-Universit�t Marburg					Assay Description The anti-His antibody (His Capture Kit, GE Healthcare) was immobilized on sensor chip CM5 (GE Healthcare), in a Biacore T200 or Biacore S200 instrume...				ACS Chem Biol 12: 1397-1415 (2017) Article DOI: 10.1021/acschembio.7b00062 BindingDB Entry DOI: 10.7270/Q2416VXX
Philipps-Universit�t Marburg					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM228820 (2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...) Show SMILES OC(=O)COc1cc(F)ccc1C(=O)Nc1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.50E+3	n/a	n/a	n/a	8.5	n/a
Philipps-Universit�t Marburg					Assay Description The anti-His antibody (His Capture Kit, GE Healthcare) was immobilized on sensor chip CM5 (GE Healthcare), in a Biacore T200 or Biacore S200 instrume...				ACS Chem Biol 12: 1397-1415 (2017) Article DOI: 10.1021/acschembio.7b00062 BindingDB Entry DOI: 10.7270/Q2416VXX
Philipps-Universit�t Marburg					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM228822 (ALR2 inhibitor, 11) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	15	n/a	n/a	n/a	8.5	n/a
Philipps-Universit�t Marburg					Assay Description The anti-His antibody (His Capture Kit, GE Healthcare) was immobilized on sensor chip CM5 (GE Healthcare), in a Biacore T200 or Biacore S200 instrume...				ACS Chem Biol 12: 1397-1415 (2017) Article DOI: 10.1021/acschembio.7b00062 BindingDB Entry DOI: 10.7270/Q2416VXX
Philipps-Universit�t Marburg					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50080464 (ALR2 inhibitor, 12 \| CHEMBL1405739) Show SMILES OC(=O)Cn1c2ccccc2c2nnc(S)nc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	38	n/a	n/a	n/a	8.5	n/a
Philipps-Universit�t Marburg					Assay Description The anti-His antibody (His Capture Kit, GE Healthcare) was immobilized on sensor chip CM5 (GE Healthcare), in a Biacore T200 or Biacore S200 instrume...				ACS Chem Biol 12: 1397-1415 (2017) Article DOI: 10.1021/acschembio.7b00062 BindingDB Entry DOI: 10.7270/Q2416VXX
Philipps-Universit�t Marburg					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16239 (2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}ph...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	8.5	n/a
Philipps-Universit�t Marburg					Assay Description The anti-His antibody (His Capture Kit, GE Healthcare) was immobilized on sensor chip CM5 (GE Healthcare), in a Biacore T200 or Biacore S200 instrume...				ACS Chem Biol 12: 1397-1415 (2017) Article DOI: 10.1021/acschembio.7b00062 BindingDB Entry DOI: 10.7270/Q2416VXX
Philipps-Universit�t Marburg					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	8.5	n/a
Philipps-Universit�t Marburg					Assay Description The anti-His antibody (His Capture Kit, GE Healthcare) was immobilized on sensor chip CM5 (GE Healthcare), in a Biacore T200 or Biacore S200 instrume...				ACS Chem Biol 12: 1397-1415 (2017) Article DOI: 10.1021/acschembio.7b00062 BindingDB Entry DOI: 10.7270/Q2416VXX
Philipps-Universit�t Marburg					More data for this Ligand-Target Pair				3D Structure (crystal)

Found 10 hits of Isothermal Titration Calorimetry Data.
Cell (A)	Syringe (B)	Cell Links	Syringe Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
Aldose reductase (AR) (Homo sapiens (Human))	BDBM228821 (ALR2 inhibitor, 8)	GoogleScholar PDB	PC cid PC sid	-44.3	-21.3	-65.6	10.7	8	24.9
Philipps-Universit�t Marburg	BDBM228821 (ALR2 inhibitor, 8)	GoogleScholar PDB	PC cid PC sid	ACS Chem Biol 12: 1397-1415 (2017)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM228822 (ALR2 inhibitor, 11)	GoogleScholar PDB	PC cid PC sid PDB	-43.5	-12.3	-55.8	10.6	8	24.9
Philipps-Universit�t Marburg	BDBM228822 (ALR2 inhibitor, 11)	GoogleScholar PDB	PC cid PC sid PDB	ACS Chem Biol 12: 1397-1415 (2017)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM228825 (2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-flu...)	GoogleScholar PDB	PC cid PC sid PDB	-41.7	-8.94	-50.6	n/a	8	24.9
Philipps-Universit�t Marburg		GoogleScholar PDB	PC cid PC sid PDB	ACS Chem Biol 12: 1397-1415 (2017)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM228825 (2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-flu...)	GoogleScholar PDB	PC cid PC sid PDB	-41.5	-12.5	-54	10.3	8	24.9
Philipps-Universit�t Marburg		GoogleScholar PDB	PC cid PC sid PDB	ACS Chem Biol 12: 1397-1415 (2017)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM228824 (2-(5-Fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy)ace...)	GoogleScholar PDB	PC cid PC sid PDB	-31.5	-14.7	-46.2	8.55	8	24.9
Philipps-Universit�t Marburg		GoogleScholar PDB	PC cid PC sid PDB	ACS Chem Biol 12: 1397-1415 (2017)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM228823 (2-(2-Carbamoyl-5-fluorophenoxy)acetic acid (4))	GoogleScholar PDB	PC cid PC sid PDB	-29.6	-5.66	-35.4	8.18	8	24.9
Philipps-Universit�t Marburg		GoogleScholar PDB	PC cid PC sid PDB	ACS Chem Biol 12: 1397-1415 (2017)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM228823 (2-(2-Carbamoyl-5-fluorophenoxy)acetic acid (4))	GoogleScholar PDB	PC cid PC sid PDB	-29.4	-9.54	-39	8.14	8	24.9
Philipps-Universit�t Marburg		GoogleScholar PDB	PC cid PC sid PDB	ACS Chem Biol 12: 1397-1415 (2017)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM228820 (2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...)	GoogleScholar PDB	PC cid PC sid	-29.3	-0.596	-29.9	8.12	8	24.9
Philipps-Universit�t Marburg		GoogleScholar PDB	PC cid PC sid	ACS Chem Biol 12: 1397-1415 (2017)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM228820 (2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...)	GoogleScholar PDB	PC cid PC sid	-28.8	-1.79	-30.6	8.04	8	24.9
Philipps-Universit�t Marburg		GoogleScholar PDB	PC cid PC sid	ACS Chem Biol 12: 1397-1415 (2017)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM228826 (3-((2-(Carboxymethoxy)-4-fluorobenzamido)methyl)be...)	GoogleScholar PDB	PC cid PC sid PDB	-25.4	-11.0	-36.4	7.44	8	24.9
Philipps-Universit�t Marburg		GoogleScholar PDB	PC cid PC sid PDB	ACS Chem Biol 12: 1397-1415 (2017)

Reorder this table by ΔH°
Reorder this table by -TΔS°
Change energy units to:kcal/mole

* indicates data uncertainty>20%