Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50528945   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528945 (CHEMBL4565065) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3cc(ccc3C(O)=O)C#N)c2c(=O)[nH]1 Show InChI InChI=1S/C22H16N6O4/c23-9-12-3-6-15(21(31)32)16(8-12)26-19(29)13-4-1-11(2-5-13)7-14-10-25-18-17(14)20(30)28-22(24)27-18/h1-6,8,10H,7H2,(H,26,29)(H,31,32)(H4,24,25,27,28,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	460	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 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Cryptosporidium hominis)	BDBM50528945 (CHEMBL4565065) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3cc(ccc3C(O)=O)C#N)c2c(=O)[nH]1 Show InChI InChI=1S/C22H16N6O4/c23-9-12-3-6-15(21(31)32)16(8-12)26-19(29)13-4-1-11(2-5-13)7-14-10-25-18-17(14)20(30)28-22(24)27-18/h1-6,8,10H,7H2,(H,26,29)(H,31,32)(H4,24,25,27,28,30)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.10E+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 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair				3D Structure (crystal)