BDBM50451729 CHEMBL4206601

SMILES: CCOC(=O)N1CCc2c(C1)c1cc(OC)ccc1n2CC(O)=O

InChI Key: InChIKey=DCDAZZGJAFXXQQ-UHFFFAOYSA-N

Data: 2 KI  5 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 7 hits for monomerid = 50451729   

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 (Rattus norvegicus)	BDBM50451729 (CHEMBL4206601) Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(OC)ccc1n2CC(O)=O Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldeh...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldose reductase (Homo sapiens (Human))	BDBM50451729 (CHEMBL4206601) Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(OC)ccc1n2CC(O)=O Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human AKR1B1 using D,L-glyceraldehyde as substrate				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM50451729 (CHEMBL4206601) Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(OC)ccc1n2CC(O)=O Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM50451729 (CHEMBL4206601) Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(OC)ccc1n2CC(O)=O Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B10				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM50451729 (CHEMBL4206601) Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(OC)ccc1n2CC(O)=O Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM50451729 (CHEMBL4206601) Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(OC)ccc1n2CC(O)=O Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR1 in Wistar rat kidney assessed as reduction in NADPH consumption preincubated for 1 min followed by substrate addition measured aft...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldose reductase (Homo sapiens (Human))	BDBM50451729 (CHEMBL4206601) Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(OC)ccc1n2CC(O)=O Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B1 using D,L-glyceraldehyde as substrate				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair