BDBM772 Benzamidine::CHEMBL79897::[amino(phenyl)methylidene]azanium::benzamidine deriv.::benzamidinium chloride

SMILES: NC(=[NH2+])c1ccccc1

InChI Key: InChIKey=PXXJHWLDUBFPOL-UHFFFAOYSA-O

Data: 16 KI  1 IC50  4 ITC

PDB links: 40 PDB IDs match this monomer. 103 PDB IDs contain this monomer as substructures. 103 PDB IDs contain inhibitors having a similarity of 90% to 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 17 hits for monomerid = 772   

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 (Bos taurus (bovine))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	4.80E+3	-7.18	n/a	n/a	n/a	n/a	n/a	7.4	22
Axys Pharmaceuticals Corporation					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				J Mol Biol 307: 1451-86 (2001) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q2FX77PG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals Corporation					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				J Mol Biol 307: 1451-86 (2001) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q2FX77PG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tryptase (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.00E+4	-6.34	n/a	n/a	n/a	n/a	n/a	7.4	22
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 7: 299-312 (2000) Article DOI: 10.1016/S1074-5521(00)00104-6 BindingDB Entry DOI: 10.7270/Q2NG4NWC
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	2.10E+4	-6.31	n/a	n/a	n/a	n/a	n/a	7.4	22
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 7: 299-312 (2000) Article DOI: 10.1016/S1074-5521(00)00104-6 BindingDB Entry DOI: 10.7270/Q2NG4NWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals Corporation					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				J Mol Biol 307: 1451-86 (2001) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q2FX77PG
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	3.90E+4	-6.01	n/a	n/a	n/a	n/a	n/a	8.0	25
Max-Planck-Institut fuer Biochemie					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in t...				J Mol Biol 301: 465-75 (2000) Article DOI: 10.1006/jmbi.2000.3966 BindingDB Entry DOI: 10.7270/Q2445JRM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				J Mol Biol 344: 527-47 (2004) Article DOI: 10.1016/j.jmb.2004.09.032 BindingDB Entry DOI: 10.7270/Q2V40SF3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	9.70E+4	-5.42	n/a	n/a	n/a	n/a	n/a	7.4	22
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 7: 299-312 (2000) Article DOI: 10.1016/S1074-5521(00)00104-6 BindingDB Entry DOI: 10.7270/Q2NG4NWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10E+5	-5.34	n/a	n/a	n/a	n/a	n/a	7.4	22
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 7: 299-312 (2000) Article DOI: 10.1016/S1074-5521(00)00104-6 BindingDB Entry DOI: 10.7270/Q2NG4NWC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.65E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals Corporation					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				J Mol Biol 307: 1451-86 (2001) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q2FX77PG
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.80E+5	-5.11	n/a	n/a	n/a	n/a	n/a	8.0	25
Max-Planck-Institut fuer Biochemie					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in t...				J Mol Biol 301: 465-75 (2000) Article DOI: 10.1006/jmbi.2000.3966 BindingDB Entry DOI: 10.7270/Q2445JRM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.20E+5	-4.72	n/a	n/a	n/a	n/a	n/a	7.4	22
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 7: 299-312 (2000) Article DOI: 10.1016/S1074-5521(00)00104-6 BindingDB Entry DOI: 10.7270/Q2NG4NWC
					More data for this Ligand-Target Pair
Urokinase (uPA) Mutant (S190A) (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				J Mol Biol 344: 527-47 (2004) Article DOI: 10.1016/j.jmb.2004.09.032 BindingDB Entry DOI: 10.7270/Q2V40SF3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement C1s (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.03E+5	-4.40	n/a	n/a	n/a	n/a	n/a	8.05	25.5
Michigan State University					Assay Description All readings were made in a Hitachi-Coleman ultraviolet-visible 101 spectrophotometer.				Biochemistry 8: 4503-10 (1969) Article DOI: 10.1021/bi00839a042 BindingDB Entry DOI: 10.7270/Q22R3Q87
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	7.50E+5	-4.22	n/a	n/a	n/a	n/a	n/a	7.4	22
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 7: 299-312 (2000) Article DOI: 10.1016/S1074-5521(00)00104-6 BindingDB Entry DOI: 10.7270/Q2NG4NWC
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	>1.00E+6	>-4.09	n/a	n/a	n/a	n/a	n/a	8.0	25
Max-Planck-Institut fuer Biochemie					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in t...				J Mol Biol 301: 465-75 (2000) Article DOI: 10.1006/jmbi.2000.3966 BindingDB Entry DOI: 10.7270/Q2445JRM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+5	n/a	n/a	n/a	n/a	8.0	22
Astex					Assay Description The cleavage of the substrate was followed by monitoring the change in fluorescence at 460 nm (excitation at 365 nm) for 25 min at room temperature o...				J Med Chem 49: 1346-55 (2006) Article DOI: 10.1021/jm050850v BindingDB Entry DOI: 10.7270/Q20863J2
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 772

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Trypsin (Bos taurus (bovine))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)	DrugBank GoogleScholar KEGG PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.42	-2.37	-4.06	4.79	8	20.1
University of Groningen					J Am Chem Soc 125: 10570-9 (2003)
Trypsin (Bos taurus (bovine))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)	DrugBank GoogleScholar KEGG PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.38	-1.29	-5.11	4.61	8	30
University of Groningen					J Am Chem Soc 125: 10570-9 (2003)
Trypsin (Bos taurus (bovine))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)	DrugBank GoogleScholar KEGG PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.38	-0.719	-5.66	4.49	8	37.1
University of Groningen					J Am Chem Soc 125: 10570-9 (2003)
Trypsin (Bos taurus (bovine))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)	DrugBank GoogleScholar KEGG PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.35	-1.84	-4.51	4.65	8	25.1
University of Groningen					J Am Chem Soc 125: 10570-9 (2003)