BDBM50528942 CHEMBL4442032

SMILES: Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)NC3CCCCC3C(O)=O)c2c(=O)[nH]1

InChI Key: InChIKey=WBBNOYZOZAGYRQ-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 = 50528942   

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
Arachidonate 15-lipoxygenase, type II (Rattus norvegicus)	BDBM50528942 (CHEMBL4442032) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)NC3CCCCC3C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C21H23N5O4/c22-21-25-17-16(19(28)26-21)13(10-23-17)9-11-5-7-12(8-6-11)18(27)24-15-4-2-1-3-14(15)20(29)30/h5-8,10,14-15H,1-4,9H2,(H,24,27)(H,29,30)(H4,22,23,25,26,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Cryptosporidium hominis)	BDBM50528942 (CHEMBL4442032) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)NC3CCCCC3C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C21H23N5O4/c22-21-25-17-16(19(28)26-21)13(10-23-17)9-11-5-7-12(8-6-11)18(27)24-15-4-2-1-3-14(15)20(29)30/h5-8,10,14-15H,1-4,9H2,(H,24,27)(H,29,30)(H4,22,23,25,26,28)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptosporidium hominis TS-DHFR expresssed in Escherichia coli PA414 using dUMP and 5,10-methylenetetrahydrofolate as subst...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673
					More data for this Ligand-Target Pair