BDBM50363068 CHEMBL1944859

SMILES: OC(=O)Cn1c2c(CCN(C2=S)c2ccccc2)c2ccccc12

InChI Key: InChIKey=RCUTXPKCFFCLNK-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 = 50363068   

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))	BDBM50363068 (CHEMBL1944859) Show SMILES OC(=O)Cn1c2c(CCN(C2=S)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C19H16N2O2S/c22-17(23)12-21-16-9-5-4-8-14(16)15-10-11-20(19(24)18(15)21)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry				Bioorg Med Chem 20: 356-67 (2011) Article DOI: 10.1016/j.bmc.2011.10.073 BindingDB Entry DOI: 10.7270/Q2N58MTG
					More data for this Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM50363068 (CHEMBL1944859) Show SMILES OC(=O)Cn1c2c(CCN(C2=S)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C19H16N2O2S/c22-17(23)12-21-16-9-5-4-8-14(16)15-10-11-20(19(24)18(15)21)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of recombinant N-His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry				Bioorg Med Chem 20: 356-67 (2011) Article DOI: 10.1016/j.bmc.2011.10.073 BindingDB Entry DOI: 10.7270/Q2N58MTG
					More data for this Ligand-Target Pair