BDBM50053596 1-phenylbiguanide::CHEMBL13791::N-phenylimidodicarbonimidic diamide::Phenyl biguanide

SMILES: NC(=N)NC(N)=Nc1ccccc1

InChI Key: InChIKey=CUQCMXFWIMOWRP-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 EC50

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 = 50053596   

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
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor (Homo sapiens (Human))	BDBM50053596 (1-phenylbiguanide | CHEMBL13791 | N-phenylimidodic...) Show SMILES NC(=N)NC(N)=Nc1ccccc1 |w:6.6| Show InChI InChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells				J Med Chem 39: 4017-26 (1996) Article DOI: 10.1021/jm9603936 BindingDB Entry DOI: 10.7270/Q23F4NQT
					More data for this Ligand-Target Pair
Trace amine-associated receptor 5 (Mus musculus)	BDBM50053596 (1-phenylbiguanide | CHEMBL13791 | N-phenylimidodic...) Show SMILES NC(=N)NC(N)=Nc1ccccc1 |w:6.6| Show InChI InChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 127: 781-792 (2017) BindingDB Entry DOI: 10.7270/Q2C24ZPS
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50053596 (1-phenylbiguanide | CHEMBL13791 | N-phenylimidodic...) Show SMILES NC(=N)NC(N)=Nc1ccccc1 |w:6.6| Show InChI InChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin				Bioorg Med Chem Lett 16: 5878-82 (2006) Article DOI: 10.1016/j.bmcl.2006.08.061 BindingDB Entry DOI: 10.7270/Q2W66N0W
					More data for this Ligand-Target Pair