BDBM50516347 CHEMBL4531593

SMILES: Cc1nc2cc(C)c(CN(C#C)c3ccc(C(=O)N[C@@H](CCc4nnnn4CC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1

InChI Key: InChIKey=IQAMWMQVSMLMHU-NRFANRHFSA-N

Data: 1 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 1 hit for monomerid = 50516347   

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)	BDBM50516347 (CHEMBL4531593) Show SMILES Cc1nc2cc(C)c(CN(C#C)c3ccc(C(=O)N[C@@H](CCc4nnnn4CC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C27H25FN8O6/c1-4-35(12-16-10-19-22(9-14(16)2)29-15(3)30-26(19)40)17-5-6-18(20(28)11-17)25(39)31-21(27(41)42)7-8-23-32-33-34-36(23)13-24(37)38/h1,5-6,9-11,21H,7-8,12-13H2,2-3H3,(H,31,39)(H,37,38)(H,41,42)(H,29,30,40)/t21-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Henan University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase (unknown origin)				Eur J Med Chem 178: 341-351 (2019) Article DOI: 10.1016/j.ejmech.2019.05.071
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