Compounds in cluster

11 similar compounds to monomer 45440

Wt: 236.3 BDBM49206 Purchase	Wt: 354.4 BDBM50015234 Purchase	Wt: 312.3 BDBM50368092 Purchase	Wt: 326.3 BDBM50368102	Wt: 382.4 BDBM50010123
Wt: 410.5 BDBM50010125	Wt: 438.6 BDBM50010127	Wt: 298.3 BDBM50010113	Wt: 313.3 BDBM50010114	Wt: 340.4 BDBM50010122
Wt: 466.6 BDBM50010128

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 49206,50015234,50368092,50368102,50010123,50010125,50010127,50010113,50010114,50010122,50010128
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
Acrosin (Sus scrofa)	BDBM50010128 (CHEMBL3245416) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis				J Med Chem 21: 1132-6 (1979) Article DOI: 10.1021/jm00209a008 BindingDB Entry DOI: 10.7270/Q2TT4SGN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50015234 (4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description compound was tested for inhibitory activity against Thrombin				J Med Chem 44: 1349-55 (2001) Article DOI: 10.1021/jm000395x BindingDB Entry DOI: 10.7270/Q2057F62
Georgetown University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Acrosin (Sus scrofa)	BDBM50010113 (CHEMBL3245402) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccccc2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis				J Med Chem 21: 1132-6 (1979) Article DOI: 10.1021/jm00209a008 BindingDB Entry DOI: 10.7270/Q2TT4SGN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Acrosin (Sus scrofa)	BDBM50010127 (CHEMBL3245415) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis				J Med Chem 21: 1132-6 (1979) Article DOI: 10.1021/jm00209a008 BindingDB Entry DOI: 10.7270/Q2TT4SGN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Acrosin (Sus scrofa)	BDBM50010125 (CHEMBL3245413) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis				J Med Chem 21: 1132-6 (1979) Article DOI: 10.1021/jm00209a008 BindingDB Entry DOI: 10.7270/Q2TT4SGN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Matriptase (Homo sapiens (human))	BDBM50015234 (4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	924	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description compound was tested for inhibitory activity against Matriptase				J Med Chem 44: 1349-55 (2001) Article DOI: 10.1021/jm000395x BindingDB Entry DOI: 10.7270/Q2057F62
Georgetown University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Acrosin (Sus scrofa)	BDBM50010122 (CHEMBL3245410) Show SMILES NC(=N)c1ccc(OCCCCCCCCOc2ccccc2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis				J Med Chem 21: 1132-6 (1979) Article DOI: 10.1021/jm00209a008 BindingDB Entry DOI: 10.7270/Q2TT4SGN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Acrosin (Sus scrofa)	BDBM50010123 (CHEMBL3245411) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
TBA Curated by ChEMBL					Assay Description Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis				J Med Chem 21: 1132-6 (1979) Article DOI: 10.1021/jm00209a008 BindingDB Entry DOI: 10.7270/Q2TT4SGN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (human))	BDBM50368102 (CHEMBL494850) Show SMILES NC(=N)c1ccc(OCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of trypsin by amidase assay.				J Med Chem 33: 1252-7 (1990) Article DOI: 10.1021/jm00166a026 BindingDB Entry DOI: 10.7270/Q2154HNW
University of North Carolina Curated by ChEMBL					More data for this Ligand-Target Pair
Acrosin (Sus scrofa)	BDBM50010114 (CHEMBL1187216) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(N)cc2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis				J Med Chem 21: 1132-6 (1979) Article DOI: 10.1021/jm00209a008 BindingDB Entry DOI: 10.7270/Q2TT4SGN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (human))	BDBM50015234 (4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of trypsin by amidase assay.				J Med Chem 33: 1252-7 (1990) Article DOI: 10.1021/jm00166a026 BindingDB Entry DOI: 10.7270/Q2154HNW
University of North Carolina Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (human))	BDBM50368092 (GNF-PF-3839 \| PROPAMIDINE CHLORIDE) Show SMILES NC(=N)c1ccc(OCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of trypsin by amidase assay.				J Med Chem 33: 1252-7 (1990) Article DOI: 10.1021/jm00166a026 BindingDB Entry DOI: 10.7270/Q2154HNW
University of North Carolina Curated by ChEMBL					More data for this Ligand-Target Pair
Acrosin (Sus scrofa)	BDBM50368092 (GNF-PF-3839 \| PROPAMIDINE CHLORIDE) Show SMILES NC(=N)c1ccc(OCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis				J Med Chem 21: 1132-6 (1979) Article DOI: 10.1021/jm00209a008 BindingDB Entry DOI: 10.7270/Q2TT4SGN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50015234 (4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description compound was tested for inhibitory activity against Urokinase-type plasminogen activator(microPa)				J Med Chem 44: 1349-55 (2001) Article DOI: 10.1021/jm000395x BindingDB Entry DOI: 10.7270/Q2057F62
Georgetown University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A (Homo sapiens (human))	BDBM50015234 (4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...				US Patent US9144538 (2015) BindingDB Entry DOI: 10.7270/Q22806DV
The Procter & Gamble Company US Patent					More data for this Ligand-Target Pair
Cytochrome P450 3A (Homo sapiens (human))	BDBM50015234 (4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...				US Patent US9138393 (2015) BindingDB Entry DOI: 10.7270/Q2GF0S8J
The Procter & Gamble Company US Patent					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B (Homo sapiens (Human))	BDBM49206 (4-hexoxy-N'-hydroxy-benzamidine \| 4-hexoxy-N'-hydr...) Show SMILES CCCCCCOc1ccc(cc1)C(=N)NO Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	n/a	6.66E+6	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27P8WT7
SRMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair