BDBM50429680 CHEMBL2335384

SMILES: Nc1cc(ccc1N1CCCCC1)N1CCCCC1

InChI Key: InChIKey=WAOUXZZNLNSGRH-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 = 50429680   

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))	BDBM50429680 (CHEMBL2335384) Show SMILES Nc1cc(ccc1N1CCCCC1)N1CCCCC1 Show InChI InChI=1S/C16H25N3/c17-15-13-14(18-9-3-1-4-10-18)7-8-16(15)19-11-5-2-6-12-19/h7-8,13H,1-6,9-12,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+4	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))	BDBM50429680 (CHEMBL2335384) Show SMILES Nc1cc(ccc1N1CCCCC1)N1CCCCC1 Show InChI InChI=1S/C16H25N3/c17-15-13-14(18-9-3-1-4-10-18)7-8-16(15)19-11-5-2-6-12-19/h7-8,13H,1-6,9-12,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.15E+4	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