BDBM50426301 CHEMBL1402123

SMILES: CC1CCc2c(C1)sc1ncn(N)c(=N)c21

InChI Key: InChIKey=DIYJEVWZYFKICL-UHFFFAOYSA-N

Data: 2 KI  2 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 = 50426301   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426301 (CHEMBL1402123) Show SMILES CC1CCc2c(C1)sc1ncn(N)c(=N)c21 Show InChI InChI=1S/C11H14N4S/c1-6-2-3-7-8(4-6)16-11-9(7)10(12)15(13)5-14-11/h5-6,12H,2-4,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 52 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426301 (CHEMBL1402123) Show SMILES CC1CCc2c(C1)sc1ncn(N)c(=N)c21 Show InChI InChI=1S/C11H14N4S/c1-6-2-3-7-8(4-6)16-11-9(7)10(12)15(13)5-14-11/h5-6,12H,2-4,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.53E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 37 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426301 (CHEMBL1402123) Show SMILES CC1CCc2c(C1)sc1ncn(N)c(=N)c21 Show InChI InChI=1S/C11H14N4S/c1-6-2-3-7-8(4-6)16-11-9(7)10(12)15(13)5-14-11/h5-6,12H,2-4,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+6	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 37 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426301 (CHEMBL1402123) Show SMILES CC1CCc2c(C1)sc1ncn(N)c(=N)c21 Show InChI InChI=1S/C11H14N4S/c1-6-2-3-7-8(4-6)16-11-9(7)10(12)15(13)5-14-11/h5-6,12H,2-4,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 52 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair