BDBM50180881 CHEMBL3818778

SMILES: OC(=O)COc1nc(SCC(O)=O)nc(n1)-c1ccccc1

InChI Key: InChIKey=AUFWQXFSPKRUON-UHFFFAOYSA-N

Data: 1 Kd

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 = 50180881   

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
Chemokine CXCL12 (Homo sapiens (Human))	BDBM50180881 (CHEMBL3818778) Show SMILES OC(=O)COc1nc(SCC(O)=O)nc(n1)-c1ccccc1 Show InChI InChI=1S/C13H11N3O5S/c17-9(18)6-21-12-14-11(8-4-2-1-3-5-8)15-13(16-12)22-7-10(19)20/h1-5H,6-7H2,(H,17,18)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity to human [U-15N]CXCL12 L36C/A65C dimer mutant expressed in Escherichia coli assessed as induction of chemical shift perturbations at...				J Med Chem 59: 4342-51 (2016) BindingDB Entry DOI: 10.7270/Q2DB83SC
					More data for this Ligand-Target Pair