BDBM50113840 4-Phenyl-butylamine::4-phenylbutylamine::CHEMBL79512

SMILES: NCCCCc1ccccc1

InChI Key: InChIKey=AGNFWIZBEATIAK-UHFFFAOYSA-N

Data: 2 KI  1 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 = 50113840   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50113840 (4-Phenyl-butylamine | 4-phenylbutylamine | CHEMBL7...) Show SMILES NCCCCc1ccccc1 Show InChI InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Binding affinity against bovine trypsin				J Med Chem 45: 2469-83 (2002) BindingDB Entry DOI: 10.7270/Q28916J7
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50113840 (4-Phenyl-butylamine | 4-phenylbutylamine | CHEMBL7...) Show SMILES NCCCCc1ccccc1 Show InChI InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of human MAOA				J Med Chem 51: 8019-26 (2008) Article DOI: 10.1021/jm8011867 BindingDB Entry DOI: 10.7270/Q2542NGF
					More data for this Ligand-Target Pair
Thrombin & trypsin (Homo sapiens (Human))	BDBM50113840 (4-Phenyl-butylamine | 4-phenylbutylamine | CHEMBL7...) Show SMILES NCCCCc1ccccc1 Show InChI InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.00E+7	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Binding affinity against trypsin				J Med Chem 45: 2770-80 (2002) Article DOI: 10.1021/jm0105833 BindingDB Entry DOI: 10.7270/Q2MG7S8S
					More data for this Ligand-Target Pair