BDBM50437943 CHEMBL1814395

SMILES: CCOC1Oc2ccc(CC)cc2C(=O)C1=CNc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=AEOQFFWBLRQMRT-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50437943   

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
Ecto-5'-nucleotidase (e5'NT) (Rattus norvegicus (Rat))	BDBM50437943 (CHEMBL1814395) Show SMILES CCOC1Oc2ccc(CC)cc2C(=O)C1=CNc1ccc(cc1)S(N)(=O)=O |w:16.18| Show InChI InChI=1S/C20H22N2O5S/c1-3-13-5-10-18-16(11-13)19(23)17(20(27-18)26-4-2)12-22-14-6-8-15(9-7-14)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (IAP) (Bos taurus (Cattle))	BDBM50437943 (CHEMBL1814395) Show SMILES CCOC1Oc2ccc(CC)cc2C(=O)C1=CNc1ccc(cc1)S(N)(=O)=O |w:16.18| Show InChI InChI=1S/C20H22N2O5S/c1-3-13-5-10-18-16(11-13)19(23)17(20(27-18)26-4-2)12-22-14-6-8-15(9-7-14)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of bovine intestinal alkaline phosphatase using p-NPP as substrate treated 10 mins before substrate addition measured after 30 mins by spe...				Eur J Med Chem 66: 438-49 (2013) Article DOI: 10.1016/j.ejmech.2013.06.015 BindingDB Entry DOI: 10.7270/Q20K29ZH
					More data for this Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP) (Bos taurus (Cattle))	BDBM50437943 (CHEMBL1814395) Show SMILES CCOC1Oc2ccc(CC)cc2C(=O)C1=CNc1ccc(cc1)S(N)(=O)=O |w:16.18| Show InChI InChI=1S/C20H22N2O5S/c1-3-13-5-10-18-16(11-13)19(23)17(20(27-18)26-4-2)12-22-14-6-8-15(9-7-14)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of bovine kidney intestinal alkaline phosphatase using p-NPP as substrate treated 10 mins before substrate addition measured after 30 mins...				Eur J Med Chem 66: 438-49 (2013) Article DOI: 10.1016/j.ejmech.2013.06.015 BindingDB Entry DOI: 10.7270/Q20K29ZH
					More data for this Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT) (Rattus norvegicus (Rat))	BDBM50437943 (CHEMBL1814395) Show SMILES CCOC1Oc2ccc(CC)cc2C(=O)C1=CNc1ccc(cc1)S(N)(=O)=O |w:16.18| Show InChI InChI=1S/C20H22N2O5S/c1-3-13-5-10-18-16(11-13)19(23)17(20(27-18)26-4-2)12-22-14-6-8-15(9-7-14)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair