BDBM50447413 CHEMBL3115157

SMILES: Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1

InChI Key: InChIKey=NOEHWVSISATFED-UHFFFAOYSA-N

Data: 1 KI  6 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 7 hits for monomerid = 50447413   

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 (Mus musculus)	BDBM50447413 (CHEMBL3115157) Show SMILES Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells using p-nitrophenyl phosphate as subst...				Bioorg Med Chem Lett 24: 1000-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.043 BindingDB Entry DOI: 10.7270/Q2ST7RB8
					More data for this Ligand-Target Pair
Alkaline phosphatase, placental-like (Mus musculus)	BDBM50447413 (CHEMBL3115157) Show SMILES Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of mouse EAP using p-nitrophenyl phosphate as substrate after 30 mins by chemiluminescence assay				Bioorg Med Chem Lett 24: 1000-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.043 BindingDB Entry DOI: 10.7270/Q2ST7RB8
					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (Mus musculus)	BDBM50447413 (CHEMBL3115157) Show SMILES Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay				Bioorg Med Chem Lett 24: 1000-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.043 BindingDB Entry DOI: 10.7270/Q2ST7RB8
					More data for this Ligand-Target Pair
Alkaline phosphatase placental type (Homo sapiens (Human))	BDBM50447413 (CHEMBL3115157) Show SMILES Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged PLAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay				Bioorg Med Chem Lett 24: 1000-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.043 BindingDB Entry DOI: 10.7270/Q2ST7RB8
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50447413 (CHEMBL3115157) Show SMILES Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged TNAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay				Bioorg Med Chem Lett 24: 1000-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.043 BindingDB Entry DOI: 10.7270/Q2ST7RB8
					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (Homo sapiens (Human))	BDBM50447413 (CHEMBL3115157) Show SMILES Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22)	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	2.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of human FLAG-tagged IAP expressed in African green monkey COS1 cells using p-nitrophenyl phosphate as substrate after 30 mins by chemilum...				Bioorg Med Chem Lett 24: 1000-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.043 BindingDB Entry DOI: 10.7270/Q2ST7RB8
					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (Mus musculus)	BDBM50447413 (CHEMBL3115157) Show SMILES Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells using p-nitrophenyl phosphate as substrate after 3...				Bioorg Med Chem Lett 24: 1000-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.043 BindingDB Entry DOI: 10.7270/Q2ST7RB8
					More data for this Ligand-Target Pair