BDBM50236287 CHEMBL4071967

SMILES: Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(\C=C\C(=O)c2ccccc2)c1

InChI Key: InChIKey=WKMPUFMPOASUCS-OUKQBFOZSA-N

Data: 3 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 3 hits for monomerid = 50236287   

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
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM50236287 (CHEMBL4071967) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(\C=C\C(=O)c2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C23H27N5O3/c1-23(2)27-21(24)26-22(25)28(23)31-15-7-14-30-19-11-6-8-17(16-19)12-13-20(29)18-9-4-3-5-10-18/h3-6,8-13,16H,7,14-15H2,1-2H3,(H4,24,25,26,27)/b13-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM50236287 (CHEMBL4071967) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(\C=C\C(=O)c2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C23H27N5O3/c1-23(2)27-21(24)26-22(25)28(23)31-15-7-14-30-19-11-6-8-17(16-19)12-13-20(29)18-9-4-3-5-10-18/h3-6,8-13,16H,7,14-15H2,1-2H3,(H4,24,25,26,27)/b13-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50236287 (CHEMBL4071967) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(\C=C\C(=O)c2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C23H27N5O3/c1-23(2)27-21(24)26-22(25)28(23)31-15-7-14-30-19-11-6-8-17(16-19)12-13-20(29)18-9-4-3-5-10-18/h3-6,8-13,16H,7,14-15H2,1-2H3,(H4,24,25,26,27)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric...				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair