BDBM50277614 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one::2-methyl-7,8-dihydro-1H-thiopyrano[4,3-d]pyrimidin-4(5H)-one::CHEMBL483348

SMILES: Cc1nc2CCSCc2c(=O)[nH]1

InChI Key: InChIKey=HRYKZAKEAVZGJD-UHFFFAOYSA-N

Data: 3 Kd

PDB links: 2 PDB IDs match this monomer.

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 3 hits for monomerid = 50277614   

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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3) (Homo sapiens (Human))	BDBM50277614 (2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]py...) Show SMILES Cc1nc2CCSCc2c(=O)[nH]1 Show InChI InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Institutet Curated by ChEMBL					Assay Description Binding affinity to human PARP3 PARP domain by isothermal titration colorimetry				J Med Chem 52: 3108-11 (2009) Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50277614 (2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]py...) Show SMILES Cc1nc2CCSCc2c(=O)[nH]1 Show InChI InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
Institutet Curated by ChEMBL					Assay Description Binding affinity to human PARP1				J Med Chem 52: 3108-11 (2009) Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50277614 (2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]py...) Show SMILES Cc1nc2CCSCc2c(=O)[nH]1 Show InChI InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a
Institutet Curated by ChEMBL					Assay Description Binding affinity to human PARP1 by isothermal titration colorimetry				J Med Chem 52: 3108-11 (2009) Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV
					More data for this Ligand-Target Pair