BDBM50165145 CHEMBL3800455

SMILES: CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=FCRUJYDVTBVQOD-GHRIWEEISA-N

Data: 3 KI  3 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 6 hits for monomerid = 50165145   

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
5'-nucleotidase (Homo sapiens (Human))	BDBM50165145 (CHEMBL3800455) Show SMILES CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H22N2O5S/c1-2-3-12-26-20-17(19(23)16-6-4-5-7-18(16)27-20)13-22-14-8-10-15(11-9-14)28(21,24)25/h4-11,13,20,22H,2-3,12H2,1H3,(H2,21,24,25)/b17-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	63	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 human 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
Tissue non-specific alkaline phosphatase (TNAP) (Bos taurus (Cattle))	BDBM50165145 (CHEMBL3800455) Show SMILES CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H22N2O5S/c1-2-3-12-26-20-17(19(23)16-6-4-5-7-18(16)27-20)13-22-14-8-10-15(11-9-14)28(21,24)25/h4-11,13,20,22H,2-3,12H2,1H3,(H2,21,24,25)/b17-13+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.95E+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 tissue non-specific alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 ...				Eur J Med Chem 115: 484-94 (2016) BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (Bos taurus (Cattle))	BDBM50165145 (CHEMBL3800455) Show SMILES CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H22N2O5S/c1-2-3-12-26-20-17(19(23)16-6-4-5-7-18(16)27-20)13-22-14-8-10-15(11-9-14)28(21,24)25/h4-11,13,20,22H,2-3,12H2,1H3,(H2,21,24,25)/b17-13+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.06E+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 calf intestinal alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 mins by lum...				Eur J Med Chem 115: 484-94 (2016) BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50165145 (CHEMBL3800455) Show SMILES CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H22N2O5S/c1-2-3-12-26-20-17(19(23)16-6-4-5-7-18(16)27-20)13-22-14-8-10-15(11-9-14)28(21,24)25/h4-11,13,20,22H,2-3,12H2,1H3,(H2,21,24,25)/b17-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.32E+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 human 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
Tissue non-specific alkaline phosphatase (TNAP) (Bos taurus (Cattle))	BDBM50165145 (CHEMBL3800455) Show SMILES CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H22N2O5S/c1-2-3-12-26-20-17(19(23)16-6-4-5-7-18(16)27-20)13-22-14-8-10-15(11-9-14)28(21,24)25/h4-11,13,20,22H,2-3,12H2,1H3,(H2,21,24,25)/b17-13+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.57E+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 bovine tissue non-specific alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 ...				Eur J Med Chem 115: 484-94 (2016) BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (Bos taurus (Cattle))	BDBM50165145 (CHEMBL3800455) Show SMILES CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H22N2O5S/c1-2-3-12-26-20-17(19(23)16-6-4-5-7-18(16)27-20)13-22-14-8-10-15(11-9-14)28(21,24)25/h4-11,13,20,22H,2-3,12H2,1H3,(H2,21,24,25)/b17-13+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.83E+4	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 calf intestinal alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 mins by lum...				Eur J Med Chem 115: 484-94 (2016) BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair