BDBM60945 5-amino-6-[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-keto-2-pyrrolidino-ethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::5-amino-6-[(Z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::5-amino-6-[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::5-azanyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-6-[(Z)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::MLS001139292::SMR000647271::cid_17575181

SMILES: Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCC3)nn12

InChI Key: InChIKey=XZMKRKKKKNCQQY-YFHOEESVSA-N

Data: 4 EC50

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 = 60945   

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))	BDBM60945 (5-amino-6-[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-die...) Show SMILES Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCC3)nn12 |c:5,10| Show InChI InChI=1S/C18H17N5O4S/c19-16-11(7-10-3-4-12(24)13(25)8-10)17(27)20-18-23(16)21-14(28-18)9-15(26)22-5-1-2-6-22/h3-4,7-8,25H,1-2,5-6,9,19H2/b10-7-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q29G5K8R
					More data for this Ligand-Target Pair
Alpi (Rattus norvegicus (Rat))	BDBM60945 (5-amino-6-[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-die...) Show SMILES Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCC3)nn12 |c:5,10| Show InChI InChI=1S/C18H17N5O4S/c19-16-11(7-10-3-4-12(24)13(25)8-10)17(27)20-18-23(16)21-14(28-18)9-15(26)22-5-1-2-6-22/h3-4,7-8,25H,1-2,5-6,9,19H2/b10-7-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2J38R0R
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM60945 (5-amino-6-[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-die...) Show SMILES Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCC3)nn12 |c:5,10| Show InChI InChI=1S/C18H17N5O4S/c19-16-11(7-10-3-4-12(24)13(25)8-10)17(27)20-18-23(16)21-14(28-18)9-15(26)22-5-1-2-6-22/h3-4,7-8,25H,1-2,5-6,9,19H2/b10-7-	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2J101NV
					More data for this Ligand-Target Pair
Alkaline phosphatase placental-like (Homo sapiens (Human))	BDBM60945 (5-amino-6-[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-die...) Show SMILES Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCC3)nn12 |c:5,10| Show InChI InChI=1S/C18H17N5O4S/c19-16-11(7-10-3-4-12(24)13(25)8-10)17(27)20-18-23(16)21-14(28-18)9-15(26)22-5-1-2-6-22/h3-4,7-8,25H,1-2,5-6,9,19H2/b10-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.83E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2SJ1J25
					More data for this Ligand-Target Pair