null

SMILES: NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1

InChI Key: InChIKey=BGRKMKHJBDYTGS-IWGRKNQJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50066614   

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
Serine protease 1 (Bos taurus (bovine))	BDBM50066614 ((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...) Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against bovine trypsin.				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066614 ((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...) Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound (isomer) was tested in the absence of light for inhibitory activity against thrombin.				J Med Chem 41: 3551-6 (1998) Article DOI: 10.1021/jm980281+ BindingDB Entry DOI: 10.7270/Q2QJ7GFX
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50066614 ((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...) Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound (isomer) was tested in the absence of light for inhibitory activity against trypsin.				J Med Chem 41: 3551-6 (1998) Article DOI: 10.1021/jm980281+ BindingDB Entry DOI: 10.7270/Q2QJ7GFX
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50066614 ((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...) Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound (isomer) was tested in the absence of light for inhibitory activity against Human Coagulation factor X				J Med Chem 41: 3551-6 (1998) Article DOI: 10.1021/jm980281+ BindingDB Entry DOI: 10.7270/Q2QJ7GFX
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50066614 ((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...) Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against Coagulation factor X				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50066614 ((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...) Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	484	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human uPA (M1 to L431 residues) expressed in mouse NS0 cells using Z-GGR-AMC as substrate after 15 ...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50066614 ((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...) Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description In vitro inhibition of bovine trypsin(Trp).				J Med Chem 42: 5415-25 (2000) BindingDB Entry DOI: 10.7270/Q2TT4Q5S
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066614 ((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...) Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin(FIIa).				J Med Chem 42: 5415-25 (2000) BindingDB Entry DOI: 10.7270/Q2TT4Q5S
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50066614 ((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...) Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme system.				J Med Chem 42: 5415-25 (2000) BindingDB Entry DOI: 10.7270/Q2TT4Q5S
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50066614 ((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...) Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of bovine factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50066614 ((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...) Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	272	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066614 ((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...) Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair