BDBM17295 BIBT0871::ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)cyclopropyl](pyridin-2-yl)methylidene}amino]oxy}acetate
SMILES: CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
InChI Key: InChIKey=RNOYCNIZOAIUSV-LSWMGQQCSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | 57 | -10.3 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
Boehringer Ingelheim Pharma KG | Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con... | Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem | DrugBank MMDB PDB Article PubMed | 110 | -9.87 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
Boehringer Ingelheim Pharma KG | Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con... | Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | 140 | -9.72 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
Boehringer Ingelheim Pharma KG | Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con... | Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem | Article PubMed | 6.80E+3 | -7.33 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
Boehringer Ingelheim Pharma KG | Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con... | Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem | Article PubMed | 9.00E+3 | -7.16 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
Boehringer Ingelheim Pharma KG | Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con... | Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor VII (Homo sapiens (Human)) | BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem | Article PubMed | >4.00E+4 | >-6.24 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
Boehringer Ingelheim Pharma KG | Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con... | Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem | Article PubMed | 4.40E+4 | -6.18 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
Boehringer Ingelheim Pharma KG | Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con... | Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem | Article PubMed | >5.00E+4 | >-6.10 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
Boehringer Ingelheim Pharma KG | Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con... | Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC | |||||||||||
More data for this Ligand-Target Pair |