BDBM50540326 CHEMBL4639419

SMILES: Fc1ccccc1-n1ncc2[C@H](CCCc12)NC(=O)c1onc2CCCCc12

InChI Key: InChIKey=YKFYXPVYBZXGSY-INIZCTEOSA-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 = 50540326   

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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50540326 (CHEMBL4639419) Show SMILES Fc1ccccc1-n1ncc2[C@H](CCCc12)NC(=O)c1onc2CCCCc12 |r| Show InChI InChI=1S/C21H21FN4O2/c22-15-7-2-4-10-19(15)26-18-11-5-9-16(14(18)12-23-26)24-21(27)20-13-6-1-3-8-17(13)25-28-20/h2,4,7,10,12,16H,1,3,5-6,8-9,11H2,(H,24,27)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli expression system using dihydroorotic ...				J Med Chem 63: 3915-3934 (2020)
					More data for this Ligand-Target Pair