BDBM50442501 CHEMBL2440422

SMILES: Oc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1

InChI Key: InChIKey=LHPNUZXMXZJHCT-LNVKXUELSA-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 = 50442501   

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 member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM50442501 (CHEMBL2440422) Show SMILES Oc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C21H15N3O4/c25-15-8-5-14(6-9-15)23-21-17(20(27)24-19-3-1-2-10-22-19)11-13-4-7-16(26)12-18(13)28-21/h1-12,25-26H,(H,22,24,27)/b23-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldose reductase (AR) (Homo sapiens (Human))	BDBM50442501 (CHEMBL2440422) Show SMILES Oc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C21H15N3O4/c25-15-8-5-14(6-9-15)23-21-17(20(27)24-19-3-1-2-10-22-19)11-13-4-7-16(26)12-18(13)28-21/h1-12,25-26H,(H,22,24,27)/b23-21-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B1 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair