BDBM50008435 (3-Benzo[b]thiophen-2-ylmethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid::CHEMBL357460

SMILES: OC(=O)Cc1nn(Cc2cc3cc(F)ccc3s2)c(=O)c2ccccc12

InChI Key: InChIKey=OHAUPDIGXYKHKL-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50008435   

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 (Homo sapiens (Human))	BDBM50008435 ((3-Benzo[b]thiophen-2-ylmethyl-4-oxo-3,4-dihydro-p...) Show SMILES OC(=O)Cc1nn(Cc2cc3cc(F)ccc3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C19H13FN2O3S/c20-12-5-6-17-11(7-12)8-13(26-17)10-22-19(25)15-4-2-1-3-14(15)16(21-22)9-18(23)24/h1-8H,9-10H2,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Jain University Curated by ChEMBL					Assay Description Inhibition of human placental aldose reductase using glyceraldehyde as substrate in presence of NADPH				Eur J Med Chem 138: 1002-1033 (2017) Article DOI: 10.1016/j.ejmech.2017.07.038 BindingDB Entry DOI: 10.7270/Q2C24ZZC
					More data for this Ligand-Target Pair
Aldose reductase (AR) (Homo sapiens (Human))	BDBM50008435 ((3-Benzo[b]thiophen-2-ylmethyl-4-oxo-3,4-dihydro-p...) Show SMILES OC(=O)Cc1nn(Cc2cc3cc(F)ccc3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C19H13FN2O3S/c20-12-5-6-17-11(7-12)8-13(26-17)10-22-19(25)15-4-2-1-3-14(15)16(21-22)9-18(23)24/h1-8H,9-10H2,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 457-65 (1992) BindingDB Entry DOI: 10.7270/Q28051K1
					More data for this Ligand-Target Pair