BindingDB PrimarySearch

BDBM7972 CHEMBL816::ethane-1,2-diamine::ethylenediamine

SMILES: NCCN

InChI Key: InChIKey=PIICEJLVQHRZGT-UHFFFAOYSA-N

Data: 1 KI 1 IC50

PDB links: 8 PDB IDs match this monomer. 2080 PDB IDs contain this monomer as substructures. 2080 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 7972
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Glutaminyl Cyclase (Mus musculus (mouse))	BDBM7972 (CHEMBL816 \| ethane-1,2-diamine \| ethylenediamine) Show SMILES NCCN Show InChI InChI=1S/C2H8N2/c3-1-2-4/h1-4H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	2.20E+7	-2.30	n/a	n/a	n/a	n/a	n/a	8.0	30
Probiodrug AG					Assay Description QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...				Biochemistry 44: 13415-24 (2005) Article DOI: 10.1021/bi051142e BindingDB Entry DOI: 10.7270/Q21834QW
Probiodrug AG					More data for this Ligand-Target Pair
Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM7972 (CHEMBL816 \| ethane-1,2-diamine \| ethylenediamine) Show SMILES NCCN Show InChI InChI=1S/C2H8N2/c3-1-2-4/h1-4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.55E+7	n/a	n/a	n/a	n/a	n/a	n/a
Kumamoto University Curated by ChEMBL					Assay Description Inhibition of [3H]-farnesyl pyrophosphate binding to human farnesyltransferase				Bioorg Med Chem Lett 13: 1523-6 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29BR
Kumamoto University Curated by ChEMBL					More data for this Ligand-Target Pair