Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 471.5 BDBM12831

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

Found 2 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
Coagulation factor IX (Homo sapiens (Human))	BDBM12831 (2,2,2-trifluoroacetic acid; ethyl (1R,2S)-2-[2-(7-...) Show SMILES CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C(Cc1ccccc1)c1cccc2ccc(cc12)C(N)=N |r| Show InChI InChI=1S/C29H33N3O3/c1-2-35-29(34)23-12-6-7-14-26(23)32-28(33)25(17-19-9-4-3-5-10-19)22-13-8-11-20-15-16-21(27(30)31)18-24(20)22/h3-5,8-11,13,15-16,18,23,25-26H,2,6-7,12,14,17H2,1H3,(H3,30,31)(H,32,33)/t23-,25?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 15: 29-35 (2005) Article DOI: 10.1016/j.bmcl.2004.10.045 BindingDB Entry DOI: 10.7270/Q2K072H3
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12831 (2,2,2-trifluoroacetic acid; ethyl (1R,2S)-2-[2-(7-...) Show SMILES CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C(Cc1ccccc1)c1cccc2ccc(cc12)C(N)=N |r| Show InChI InChI=1S/C29H33N3O3/c1-2-35-29(34)23-12-6-7-14-26(23)32-28(33)25(17-19-9-4-3-5-10-19)22-13-8-11-20-15-16-21(27(30)31)18-24(20)22/h3-5,8-11,13,15-16,18,23,25-26H,2,6-7,12,14,17H2,1H3,(H3,30,31)(H,32,33)/t23-,25?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 15: 29-35 (2005) Article DOI: 10.1016/j.bmcl.2004.10.045 BindingDB Entry DOI: 10.7270/Q2K072H3
					More data for this Ligand-Target Pair