BDBM50466711 CHEMBL4290009

SMILES: CCCc1nn(C2CCCC2)c2OC(N)=C(C#N)C(c12)c1cc(OC)c(O)c(c1)[N+]([O-])=O

InChI Key: InChIKey=HRHZUGNJIWKXTK-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 = 50466711   

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 C3 (Homo sapiens (Human))	BDBM50466711 (CHEMBL4290009) Show SMILES CCCc1nn(C2CCCC2)c2OC(N)=C(C#N)C(c12)c1cc(OC)c(O)c(c1)[N+]([O-])=O |t:15| Show InChI InChI=1S/C22H25N5O5/c1-3-6-15-19-18(12-9-16(27(29)30)20(28)17(10-12)31-2)14(11-23)21(24)32-22(19)26(25-15)13-7-4-5-8-13/h9-10,13,18,28H,3-8,24H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1C3 expressed in Escherichia coli BL21 cells in presence of 9,10-phenanthrenequinone and NADPH by fluorescence ass...				Bioorg Med Chem 26: 5934-5943 (2018) Article DOI: 10.1016/j.bmc.2018.10.044 BindingDB Entry DOI: 10.7270/Q2NV9MZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50466711 (CHEMBL4290009) Show SMILES CCCc1nn(C2CCCC2)c2OC(N)=C(C#N)C(c12)c1cc(OC)c(O)c(c1)[N+]([O-])=O |t:15| Show InChI InChI=1S/C22H25N5O5/c1-3-6-15-19-18(12-9-16(27(29)30)20(28)17(10-12)31-2)14(11-23)21(24)32-22(19)26(25-15)13-7-4-5-8-13/h9-10,13,18,28H,3-8,24H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1C1 expressed in Escherichia coli BL21 cells in presence of 9,10-phenanthrenequinone and NADPH by fluorescence ass...				Bioorg Med Chem 26: 5934-5943 (2018) Article DOI: 10.1016/j.bmc.2018.10.044 BindingDB Entry DOI: 10.7270/Q2NV9MZJ
					More data for this Ligand-Target Pair