BDBM50241830 CHEMBL3318218

SMILES: Oc1ccc(CCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1

InChI Key: InChIKey=XPJSDAVSTGFBKS-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 = 50241830   

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
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50241830 (CHEMBL3318218) Show SMILES Oc1ccc(CCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1 Show InChI InChI=1S/C18H15NO5/c20-13-4-1-11(2-5-13)7-8-19-17(22)15-9-12-3-6-14(21)10-16(12)24-18(15)23/h1-6,9-10,20-21H,7-8H2,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B10 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50241830 (CHEMBL3318218) Show SMILES Oc1ccc(CCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1 Show InChI InChI=1S/C18H15NO5/c20-13-4-1-11(2-5-13)7-8-19-17(22)15-9-12-3-6-14(21)10-16(12)24-18(15)23/h1-6,9-10,20-21H,7-8H2,(H,19,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B1 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair