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.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 17277   

TargetCoagulation factor X(Homo sapiens (Human))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  0.660nMAssay Description:Compound was tested for inhibitory activity against human Coagulation factor XMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  0.660nM ΔG°:  -12.4kcal/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  0.660nMAssay Description:In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme system.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  0.660nMAssay Description:Compound (isomer) was tested in the absence of light for inhibitory activity against Human Coagulation factor XMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  0.660nMAssay Description:Inhibitory activity against human Coagulation factor XMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  0.660nMAssay Description:Inhibitory potency was measured against human coagulation factor XMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  13nMAssay Description:Binding affinity of the compound was evaluated against Coagulation factor XMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  30nMAssay Description:Compound was tested for inhibitory activity against bovine trypsinMore data for this Ligand-Target Pair
TargetSerine protease 1(Bos taurus (bovine))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  33nMAssay Description:Compound (isomer) was tested in the absence of light for inhibitory activity against trypsin.More data for this Ligand-Target Pair
TargetSerine protease 1(Bos taurus (bovine))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  33nMAssay Description:Inhibitory potency was measured against bovine trypsin.More data for this Ligand-Target Pair
TargetSerine protease 1(Bos taurus (bovine))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  33nM ΔG°:  -10.1kcal/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetSerine protease 1(Bos taurus (bovine))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  33nMAssay Description:In vitro inhibition of bovine trypsin(Trp).More data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  430nMAssay Description:Compound was tested for inhibitory activity against human thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  530nMAssay Description:Compound (isomer) was tested in the absence of light for inhibitory activity against thrombin.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  530nMAssay Description:In vitro inhibition of human thrombin(FIIa).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM17277((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Affinity DataKi:  530nMAssay Description:Inhibitory potency was measured against human thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed