BDBM50124572 CHEMBL1234739

SMILES: CCc1nn2c(nc(cc2=O)N2CCNCC2)s1

InChI Key: InChIKey=WUYNDJNASMITGA-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches 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 = 50124572   

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
Integrin alpha-2/beta-3 (Homo sapiens (Human))	BDBM50124572 (CHEMBL1234739) Show SMILES CCc1nn2c(nc(cc2=O)N2CCNCC2)s1 Show InChI InChI=1S/C11H15N5OS/c1-2-9-14-16-10(17)7-8(13-11(16)18-9)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Antagonist activity against integrin alpha2bbeta3 in human platelet rich plasma				J Med Chem 58: 7681-94 (2015) BindingDB Entry DOI: 10.7270/Q2QN68MB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50124572 (CHEMBL1234739) Show SMILES CCc1nn2c(nc(cc2=O)N2CCNCC2)s1 Show InChI InChI=1S/C11H15N5OS/c1-2-9-14-16-10(17)7-8(13-11(16)18-9)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at integrin alpha2b beta3 receptor in citrated human platelet-rich plasma assessed as inhibition of ADP-induced platelets aggrega...				Bioorg Med Chem Lett 27: 5355-5372 (2017) Article DOI: 10.1016/j.bmcl.2017.11.002 BindingDB Entry DOI: 10.7270/Q2W37ZWM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50124572 (CHEMBL1234739) Show SMILES CCc1nn2c(nc(cc2=O)N2CCNCC2)s1 Show InChI InChI=1S/C11H15N5OS/c1-2-9-14-16-10(17)7-8(13-11(16)18-9)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Antagonist activity at integrin alpha2b beta3 receptor in citrated human platelet-rich plasma assessed as inhibition of ADP-induced platelets aggrega...				J Med Chem 60: 3241-3251 (2017) Article DOI: 10.1021/acs.jmedchem.6b01711 BindingDB Entry DOI: 10.7270/Q29W0HZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)