BDBM50013032 CHEMBL1604170

SMILES: OC(=O)c1cccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)c1

InChI Key: InChIKey=JQQOYHLMQIIFNE-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50013032   

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))	BDBM50013032 (CHEMBL1604170) Show SMILES OC(=O)c1cccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C21H16N2O3S/c24-19(16-11-9-15(10-12-16)14-5-2-1-3-6-14)23-21(27)22-18-8-4-7-17(13-18)20(25)26/h1-13H,(H,25,26)(H2,22,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	348	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using L-dopachrome methyl ester as substrate incub...				J Med Chem 57: 3737-45 (2014) Article DOI: 10.1021/jm401908w BindingDB Entry DOI: 10.7270/Q2QN68BR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (MIF) (Homo sapiens (Human))	BDBM50013032 (CHEMBL1604170) Show SMILES OC(=O)c1cccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C21H16N2O3S/c24-19(16-11-9-15(10-12-16)14-5-2-1-3-6-14)23-21(27)22-18-8-4-7-17(13-18)20(25)26/h1-13H,(H,25,26)(H2,22,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Covalent inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate asses...				Bioorg Med Chem Lett 26: 2764-2767 (2016) BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (MIF) (Homo sapiens (Human))	BDBM50013032 (CHEMBL1604170) Show SMILES OC(=O)c1cccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C21H16N2O3S/c24-19(16-11-9-15(10-12-16)14-5-2-1-3-6-14)23-21(27)22-18-8-4-7-17(13-18)20(25)26/h1-13H,(H,25,26)(H2,22,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using L-dopachrome methyl ester as substrate incubated for 30 ...				J Med Chem 57: 3737-45 (2014) Article DOI: 10.1021/jm401908w BindingDB Entry DOI: 10.7270/Q2QN68BR
					More data for this Ligand-Target Pair