BDBM12402 1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dichlorophenyl)methyl]-4-methyl-1H-indole-2-carboxamide::2-Carboxyindole Scaffold 47::3-amidinobenzylindole carboxamide 41
SMILES: Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1cc(Cl)cc(Cl)c1
InChI Key: InChIKey=YAAKSJLUBVPBIM-UHFFFAOYSA-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 |
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Coagulation factor X (Homo sapiens (Human)) | BDBM12402 (1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dichloro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma | Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s... | J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM12402 (1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dichloro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH | Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s... | J Med Chem 45: 2749-69 (2002) Article DOI: 10.1021/jm0111346 BindingDB Entry DOI: 10.7270/Q27H1GTW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM12402 (1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dichloro...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH | Assay Description The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge... | J Med Chem 45: 2749-69 (2002) Article DOI: 10.1021/jm0111346 BindingDB Entry DOI: 10.7270/Q27H1GTW | |||||||||||
More data for this Ligand-Target Pair |