BDBM403761 US10336721, Example 19::US10968198, Example 19

SMILES: Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCCCN3CCOCC3)ccc2n1

InChI Key: InChIKey=SLKKEZBLPKBPPZ-UHFFFAOYSA-N

Data: 2 KI

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 = 403761   

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))	BDBM403761 (US10336721, Example 19 | US10968198, Example 19) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCCCN3CCOCC3)ccc2n1 Show InChI InChI=1S/C24H25N5O3/c30-20-5-3-19(4-6-20)29-17-24(26-27-29)23-8-2-18-16-21(7-9-22(18)25-23)32-13-1-10-28-11-14-31-15-12-28/h2-9,16-17,30H,1,10-15H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021)
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (MIF) (Homo sapiens (Human))	BDBM403761 (US10336721, Example 19 | US10968198, Example 19) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCCCN3CCOCC3)ccc2n1 Show InChI InChI=1S/C24H25N5O3/c30-20-5-3-19(4-6-20)29-17-24(26-27-29)23-8-2-18-16-21(7-9-22(18)25-23)32-13-1-10-28-11-14-31-15-12-28/h2-9,16-17,30H,1,10-15H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair