BDBM50237919 CHEMBL4101742

SMILES: CCCc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1OS(=O)(=O)c1ccc(CCC)cc1

InChI Key: InChIKey=NNBIFSZWBYQILY-UHFFFAOYSA-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 = 50237919   

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
Intestinal alkaline phosphatase (Homo sapiens (Human))	BDBM50237919 (CHEMBL4101742) Show SMILES CCCc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1OS(=O)(=O)c1ccc(CCC)cc1 Show InChI InChI=1S/C28H28O8S2/c1-4-6-20-8-12-22(13-9-20)37(30,31)35-25-17-16-24-19(3)18-26(29)34-27(24)28(25)36-38(32,33)23-14-10-21(7-5-2)11-15-23/h8-18H,4-7H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Agonistic activity measures the ability to induce alkaline phosphatase in T47D human breast cancer cell line				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair