BindingDB PrimarySearch

BDBM17277 (Z,Z)BABCH::4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl)methylidene]-2-oxocycloheptylidene]methyl}benzene-1-carboximidamide::CHEMBL55035

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

InChI Key: InChIKey=BGRKMKHJBDYTGS-AXPXABNXSA-N

Data: 16 KI

PDB links: 2 PDB IDs match this monomer. 1 PDB ID contains this monomer as substructures.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 17277
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
Coagulation factor X (Homo sapiens (Human))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	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 inhibitory activity against human Coagulation factor X				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
Berlex Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.660	-12.4	n/a	n/a	n/a	n/a	n/a	7.5	22
Berlex					Assay Description The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...				Acta Crystallogr D Biol Crystallogr 55: 1395-404 (1999) Article DOI: 10.1107/s0907444999007350 BindingDB Entry DOI: 10.7270/Q2H1308B
Berlex					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	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 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
Berlex Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB 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 (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
Berlex Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	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 Inhibitory activity against human Coagulation factor X				Bioorg Med Chem Lett 10: 957-61 (2000) BindingDB Entry DOI: 10.7270/Q2MG7NRD
Berlex Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB 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 Inhibitory potency was measured against human coagulation factor X				J Med Chem 41: 3557-62 (1998) Article DOI: 10.1021/jm980280h BindingDB Entry DOI: 10.7270/Q2KS6QPR
Berlex Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated against Coagulation factor X				Bioorg Med Chem Lett 8: 1877-82 (1999) BindingDB Entry DOI: 10.7270/Q2222SX9
Berlex Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	30	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 inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
Berlex Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypsin (Bos taurus (bovine))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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 (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
Berlex Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypsin (Bos taurus (bovine))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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 Inhibitory potency was measured against bovine trypsin.				J Med Chem 41: 3557-62 (1998) Article DOI: 10.1021/jm980280h BindingDB Entry DOI: 10.7270/Q2KS6QPR
Berlex Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypsin (Bos taurus (bovine))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	33	-10.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Berlex					Assay Description The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...				Acta Crystallogr D Biol Crystallogr 55: 1395-404 (1999) Article DOI: 10.1107/s0907444999007350 BindingDB Entry DOI: 10.7270/Q2H1308B
Berlex					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypsin (Bos taurus (bovine))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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 In vitro inhibition of bovine trypsin(Trp).				J Med Chem 42: 5415-25 (2000) BindingDB Entry DOI: 10.7270/Q2TT4Q5S
Berlex Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	430	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 inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
Berlex Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB 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 (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
Berlex Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	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 In vitro inhibition of human thrombin(FIIa).				J Med Chem 42: 5415-25 (2000) BindingDB Entry DOI: 10.7270/Q2TT4Q5S
Berlex Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM17277 ((Z,Z)BABCH \| 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB 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 Inhibitory potency was measured against human thrombin				J Med Chem 41: 3557-62 (1998) Article DOI: 10.1021/jm980280h BindingDB Entry DOI: 10.7270/Q2KS6QPR
Berlex Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair