Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 433.5 BDBM652632

Wt: 433.5 BDBM652633

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 14 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM652632 (5-N-[(2-fluoro-4-{2-[(15,4S)-5-isopropyl-2,5-diaza...) Show SMILES CC(C)N1CC2CC1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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Coagulation factor XI (Homo sapiens (Human))	BDBM652633 (5-N-[(2-fluoro-4-{2-[(1R,4R)-5-isopropyl-2,5-diaza...) Show SMILES CC(C)N1C[C@H]2C[C@@H]1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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Coagulation factor X (Homo sapiens (Human))	BDBM652633 (5-N-[(2-fluoro-4-{2-[(1R,4R)-5-isopropyl-2,5-diaza...) Show SMILES CC(C)N1C[C@H]2C[C@@H]1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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Serine protease 1 (Homo sapiens (Human))	BDBM652632 (5-N-[(2-fluoro-4-{2-[(15,4S)-5-isopropyl-2,5-diaza...) Show SMILES CC(C)N1CC2CC1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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Plasminogen (Homo sapiens (Human))	BDBM652632 (5-N-[(2-fluoro-4-{2-[(15,4S)-5-isopropyl-2,5-diaza...) Show SMILES CC(C)N1CC2CC1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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Prothrombin (Homo sapiens (Human))	BDBM652633 (5-N-[(2-fluoro-4-{2-[(1R,4R)-5-isopropyl-2,5-diaza...) Show SMILES CC(C)N1C[C@H]2C[C@@H]1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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Coagulation factor X (Homo sapiens (Human))	BDBM652632 (5-N-[(2-fluoro-4-{2-[(15,4S)-5-isopropyl-2,5-diaza...) Show SMILES CC(C)N1CC2CC1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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Coagulation factor XI (Homo sapiens (Human))	BDBM652632 (5-N-[(2-fluoro-4-{2-[(15,4S)-5-isopropyl-2,5-diaza...) Show SMILES CC(C)N1CC2CC1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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Coagulation factor XII (Homo sapiens (Human))	BDBM652633 (5-N-[(2-fluoro-4-{2-[(1R,4R)-5-isopropyl-2,5-diaza...) Show SMILES CC(C)N1C[C@H]2C[C@@H]1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
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Coagulation factor XII (Homo sapiens (Human))	BDBM652632 (5-N-[(2-fluoro-4-{2-[(15,4S)-5-isopropyl-2,5-diaza...) Show SMILES CC(C)N1CC2CC1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
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Plasma kallikrein (Homo sapiens (Human))	BDBM652632 (5-N-[(2-fluoro-4-{2-[(15,4S)-5-isopropyl-2,5-diaza...) Show SMILES CC(C)N1CC2CC1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Plasma kallikrein (Homo sapiens (Human))	BDBM652633 (5-N-[(2-fluoro-4-{2-[(1R,4R)-5-isopropyl-2,5-diaza...) Show SMILES CC(C)N1C[C@H]2C[C@@H]1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Kallikrein-1 (Homo sapiens (Human))	BDBM652633 (5-N-[(2-fluoro-4-{2-[(1R,4R)-5-isopropyl-2,5-diaza...) Show SMILES CC(C)N1C[C@H]2C[C@@H]1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Kallikrein-1 (Homo sapiens (Human))	BDBM652632 (5-N-[(2-fluoro-4-{2-[(15,4S)-5-isopropyl-2,5-diaza...) Show SMILES CC(C)N1CC2CC1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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