BDBM50053590 1N-amino(immino)methyl-4-chloroaniline::CHEMBL41040::N-(4-Chloro-phenyl)-guanidine::N-(4-chlorophenyl)guanidine
SMILES: [#7]\[#6](-[#7])=[#7]\c1ccc(Cl)cc1
InChI Key: InChIKey=ZSJNJAJDBNFVCA-UHFFFAOYSA-N
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 |
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Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor (Homo sapiens (Human)) | BDBM50053590 (1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...) | 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 | 320 | 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 | |||||||||||||
Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human)) | BDBM50053590 (1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 6.07E+3 | 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 Urokinase-type plasminogen activator | J Med Chem 33: 2956-61 (1990) BindingDB Entry DOI: 10.7270/Q2GB24NB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM50053590 (1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 6.07E+3 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM50053590 (1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description In vitro inhibition of HWMT human urokinase Plasminogen activator. | Bioorg Med Chem Lett 12: 181-4 (2001) BindingDB Entry DOI: 10.7270/Q2N8794F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50053590 (1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | <5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Ability to inhibit human plasmin using Chromozym-PL as substrate | Bioorg Med Chem Lett 12: 181-4 (2001) BindingDB Entry DOI: 10.7270/Q2N8794F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin I (Bos taurus (bovine)) | BDBM50053590 (1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.20E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50053590 (1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.20E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50053590 (1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | <1.00E+7 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 3 (Homo sapiens (Human)) | BDBM50053590 (1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.80E+3 | 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 | |||||||||||||
Solute carrier family 22 member 1 (Homo sapiens (Human)) | BDBM50053590 (1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+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 2 (Homo sapiens (Human)) | BDBM50053590 (1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.89E+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 |