BDBM50429682 CHEMBL2335383

SMILES: COc1cc2n(C)c(=O)n(C)c2cc1N

InChI Key: InChIKey=FUANRVOPAVWOIK-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50429682   

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
S-100 protein beta chain (Homo sapiens (Human))	BDBM50429682 (CHEMBL2335383) Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1N Show InChI InChI=1S/C10H13N3O2/c1-12-7-4-6(11)9(15-3)5-8(7)13(2)10(12)14/h4-5H,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay				Bioorg Med Chem 21: 1109-15 (2013) Article DOI: 10.1016/j.bmc.2012.12.042 BindingDB Entry DOI: 10.7270/Q21C1Z6C
					More data for this Ligand-Target Pair
S-100 protein beta chain (Homo sapiens (Human))	BDBM50429682 (CHEMBL2335383) Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1N Show InChI InChI=1S/C10H13N3O2/c1-12-7-4-6(11)9(15-3)5-8(7)13(2)10(12)14/h4-5H,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay				Bioorg Med Chem 21: 1109-15 (2013) Article DOI: 10.1016/j.bmc.2012.12.042 BindingDB Entry DOI: 10.7270/Q21C1Z6C
					More data for this Ligand-Target Pair