BDBM50294165 (4-(thiophen-2-yl)phenyl)methanamine::1-(4-thiophen-2-ylphenyl)methanamine::CHEMBL539640

SMILES: NCc1ccc(cc1)-c1cccs1

InChI Key: InChIKey=YKNLMMDEWQZCLJ-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 = 50294165   

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
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM50294165 ((4-(thiophen-2-yl)phenyl)methanamine | 1-(4-thioph...) Show SMILES NCc1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
deCODE biostructures, Inc. Curated by ChEMBL					Assay Description Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...				J Med Chem 52: 4694-715 (2009) Article DOI: 10.1021/jm900259h BindingDB Entry DOI: 10.7270/Q2F47P6N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM50294165 ((4-(thiophen-2-yl)phenyl)methanamine | 1-(4-thioph...) Show SMILES NCc1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM50294165 ((4-(thiophen-2-yl)phenyl)methanamine | 1-(4-thioph...) Show SMILES NCc1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
deCODE biostructures, Inc. Curated by ChEMBL					Assay Description Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE				J Med Chem 52: 4694-715 (2009) Article DOI: 10.1021/jm900259h BindingDB Entry DOI: 10.7270/Q2F47P6N
					More data for this Ligand-Target Pair				3D Structure (crystal)