BDBM16512 (2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2-carboxamide::(2S,4S)-6-fluoro-2,5-dioxo-2,3-dihydrospiro[chromene-4,4-imidazolidine]-2-carboxamide::CHEMBL84446::Fidarestat::Fidarestat (1)

SMILES: NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1

InChI Key: InChIKey=WAAPEIZFCHNLKK-UFBFGSQYSA-N

Data: 12 IC50  1 Kd  2 ITC

PDB links: 11 PDB IDs match this monomer. 2 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 16512   

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))	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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-Universität 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Rattus norvegicus)	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Rational Drug Design Laboratories Curated by ChEMBL					Assay Description Tested for in vitro inhibition activity against rat Aldose reductase (AR)				J Med Chem 43: 2479-83 (2000) BindingDB Entry DOI: 10.7270/Q2HH6JBT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Rational Drug Design Laboratories Curated by ChEMBL					Assay Description Tested for in vitro inhibition activity against human Aldose reductase (human AR)				J Med Chem 43: 2479-83 (2000) BindingDB Entry DOI: 10.7270/Q2HH6JBT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde reductase (Homo sapiens (Human))	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rational Drug Design Laboratories Curated by ChEMBL					Assay Description Tested for in vitro inhibition activity against human aldehyde reductase (AHR)				J Med Chem 43: 2479-83 (2000) BindingDB Entry DOI: 10.7270/Q2HH6JBT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Binding affinity for human Aldose reductase 2 expressed in Escherichia coli				J Med Chem 47: 4530-7 (2004) Article DOI: 10.1021/jm0497794 BindingDB Entry DOI: 10.7270/Q2M9085V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibitory concentration against human ALR2				J Med Chem 48: 5536-42 (2005) Article DOI: 10.1021/jm050412o BindingDB Entry DOI: 10.7270/Q2K35T6F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Rattus norvegicus)	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase 2 by spectrophotometric analysis				Eur J Med Chem 46: 1536-44 (2011) Article DOI: 10.1016/j.ejmech.2011.01.072 BindingDB Entry DOI: 10.7270/Q2DJ5JF6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde reductase (Sus scrofa)	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibitory concentration against porcine ALR1 Aldehyde reductase using DL-glyceraldehyde				J Med Chem 48: 5536-42 (2005) Article DOI: 10.1021/jm050412o BindingDB Entry DOI: 10.7270/Q2K35T6F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde reductase (Homo sapiens (Human))	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibitory concentration against human ALR1 Aldehyde reductase using DL-glyceraldehyde				J Med Chem 48: 5536-42 (2005) Article DOI: 10.1021/jm050412o BindingDB Entry DOI: 10.7270/Q2K35T6F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of aldose reductase				Bioorg Med Chem 15: 7865-77 (2007) Article DOI: 10.1016/j.bmc.2007.08.019 BindingDB Entry DOI: 10.7270/Q2QR4WV6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase enzyme				J Med Chem 46: 417-26 (2003) Article DOI: 10.1021/jm0209477 BindingDB Entry DOI: 10.7270/Q2PG1SGT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase				Bioorg Med Chem 16: 3245-54 (2008) Article DOI: 10.1016/j.bmc.2007.12.016 BindingDB Entry DOI: 10.7270/Q2PZ59P2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Rattus norvegicus)	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibitory concentration against rat ALR2 aldose reductase				J Med Chem 48: 5536-42 (2005) Article DOI: 10.1021/jm050412o BindingDB Entry DOI: 10.7270/Q2K35T6F
					More data for this Ligand-Target Pair				3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 16512

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Aldose Reductase (ALR2) Mutant (L300P) (Homo sapiens (Human))	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)	GoogleScholar PDB	MMDB PC cid PC sid PDB		-9.29	7.10	-16.4	6.81	8	24.9
UMR 7104 du CNRS					J Med Chem 48: 5659-65 (2005)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)	GoogleScholar PDB	MMDB PC cid PC sid PDB		-11.2	6.88	-18.0	8.18	8	24.9
UMR 7104 du CNRS					J Med Chem 48: 5659-65 (2005)