BDBM50280114 CHEMBL4160035

SMILES: Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)c(F)c1

InChI Key: InChIKey=VGLQAFZICPSJRO-UHFFFAOYSA-N

Data: 1 KI  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50280114   

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
Macrophage migration inhibitory factor (MIF) (Homo sapiens (Human))	BDBM50280114 (CHEMBL4160035) Show SMILES Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (MIF) (Homo sapiens (Human))	BDBM50280114 (CHEMBL4160035) Show SMILES Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair				3D Structure (crystal)