BindingDB PrimarySearch

BDBM50053620 1-phenylguanidine::1N-amino(immino)methylaniline::CHEMBL14047::N-Phenyl-guanidine::N-phenylguanidine

SMILES: [#7]\[#6](-[#7])=[#7]\c1ccccc1

InChI Key: InChIKey=QRJZGVVKGFIGLI-UHFFFAOYSA-N

Data: 7 KI 6 IC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50053620
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
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor (Homo sapiens (Human))	BDBM50053620 (1-phenylguanidine \| 1N-amino(immino)methylaniline ...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.34E+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
Virginia Commonwealth University Curated by ChEMBL					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human))	BDBM50053620 (1-phenylguanidine \| 1N-amino(immino)methylaniline ...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition against Urokinase-type plasminogen activator				J Med Chem 33: 2956-61 (1990) BindingDB Entry DOI: 10.7270/Q2GB24NB
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50053620 (1-phenylguanidine \| 1N-amino(immino)methylaniline ...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition against Urokinase-type plasminogen activator				J Med Chem 33: 2956-61 (1990) BindingDB Entry DOI: 10.7270/Q2GB24NB
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypsin I (Bos taurus (bovine))	BDBM50053620 (1-phenylguanidine \| 1N-amino(immino)methylaniline ...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.63E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description log1/Ki value was calculated against Trypsin				J Med Chem 33: 2956-61 (1990) BindingDB Entry DOI: 10.7270/Q2GB24NB
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50053620 (1-phenylguanidine \| 1N-amino(immino)methylaniline ...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.63E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition against Trypsin				J Med Chem 33: 2956-61 (1990) BindingDB Entry DOI: 10.7270/Q2GB24NB
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50053620 (1-phenylguanidine \| 1N-amino(immino)methylaniline ...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	7.33E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description The compound was tested for its inhibition against Tissue plasminogen activator at 1 mM when assayed against 0.3 mM S-2288 (Km = 0.673 mM)				J Med Chem 33: 2956-61 (1990) BindingDB Entry DOI: 10.7270/Q2GB24NB
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50053620 (1-phenylguanidine \| 1N-amino(immino)methylaniline ...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.61E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition against human plasmin was determined at 0.5 mM				J Med Chem 33: 2956-61 (1990) BindingDB Entry DOI: 10.7270/Q2GB24NB
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 22 member 1 (Homo sapiens (Human))	BDBM50053620 (1-phenylguanidine \| 1N-amino(immino)methylaniline ...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA. Curated by ChEMBL					Assay Description Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of substrate [3H]MPP+ after 1 min by liquid scintillation counting ...				Bioorg Med Chem Lett 27: 4440-4445 (2017) Article DOI: 10.1016/j.bmcl.2017.08.008 BindingDB Entry DOI: 10.7270/Q24M970C
					More data for this Ligand-Target Pair
Solute carrier family 22 member 3 (Homo sapiens (Human))	BDBM50053620 (1-phenylguanidine \| 1N-amino(immino)methylaniline ...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA. Curated by ChEMBL					Assay Description Inhibition of OCT3 (unknown origin)				Bioorg Med Chem Lett 27: 4440-4445 (2017) Article DOI: 10.1016/j.bmcl.2017.08.008 BindingDB Entry DOI: 10.7270/Q24M970C
					More data for this Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1) (Rattus norvegicus (Rat))	BDBM50053620 (1-phenylguanidine \| 1N-amino(immino)methylaniline ...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...				Bioorg Med Chem 21: 3873-81 (2013) Article DOI: 10.1016/j.bmc.2013.04.011 BindingDB Entry DOI: 10.7270/Q22B90DG
Astellas Pharma Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50053620 (1-phenylguanidine \| 1N-amino(immino)methylaniline ...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Urokinase-type plasminogen activator				J Med Chem 43: 3862-6 (2000) BindingDB Entry DOI: 10.7270/Q2VD6XQC
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50053620 (1-phenylguanidine \| 1N-amino(immino)methylaniline ...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA. Curated by ChEMBL					Assay Description Inhibition of human OCT2 expressed in HEK293 cells assessed as decrease in uptake of substrate [3H]MPP+ after 1 min by liquid scintillation counting ...				Bioorg Med Chem Lett 27: 4440-4445 (2017) Article DOI: 10.1016/j.bmcl.2017.08.008 BindingDB Entry DOI: 10.7270/Q24M970C
					More data for this Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human))	BDBM50053620 (1-phenylguanidine \| 1N-amino(immino)methylaniline ...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...				Bioorg Med Chem 21: 3873-81 (2013) Article DOI: 10.1016/j.bmc.2013.04.011 BindingDB Entry DOI: 10.7270/Q22B90DG
Astellas Pharma Inc. Curated by ChEMBL					More data for this Ligand-Target Pair