Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 503.9 BDBM50386271

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

Found 7 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 X (Homo sapiens (Human))	BDBM50386271 (CHEMBL2040983) Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1 |r| Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry				Eur J Med Chem 54: 771-83 (2012) Article DOI: 10.1016/j.ejmech.2012.06.032 BindingDB Entry DOI: 10.7270/Q20P1126
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50386271 (CHEMBL2040983) Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1 |r| Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of bovine alpha-chymotrypsin using chromogenic spectrozyme CTY as substrate after 10 mins by spectrophotometry				Eur J Med Chem 54: 771-83 (2012) Article DOI: 10.1016/j.ejmech.2012.06.032 BindingDB Entry DOI: 10.7270/Q20P1126
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50386271 (CHEMBL2040983) Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1 |r| Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human factor 2a using chromogenic spectrozyme TH as substrate after 10 mins by spectrophotometry				Eur J Med Chem 54: 771-83 (2012) Article DOI: 10.1016/j.ejmech.2012.06.032 BindingDB Entry DOI: 10.7270/Q20P1126
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50386271 (CHEMBL2040983) Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1 |r| Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human factor 11a using chromogenic S2366 as substrate after 10 mins by spectrophotometry				Eur J Med Chem 54: 771-83 (2012) Article DOI: 10.1016/j.ejmech.2012.06.032 BindingDB Entry DOI: 10.7270/Q20P1126
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM50386271 (CHEMBL2040983) Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1 |r| Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of factor 12a using chromogenic spectrozyme 12a as substrate after 10 mins by spectrophotometry				Eur J Med Chem 54: 771-83 (2012) Article DOI: 10.1016/j.ejmech.2012.06.032 BindingDB Entry DOI: 10.7270/Q20P1126
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50386271 (CHEMBL2040983) Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1 |r| Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human factor 7a using chromogenic spectrozyme 7a as substrate after 10 mins by spectrophotometry				Eur J Med Chem 54: 771-83 (2012) Article DOI: 10.1016/j.ejmech.2012.06.032 BindingDB Entry DOI: 10.7270/Q20P1126
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50386271 (CHEMBL2040983) Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1 |r| Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human factor 9a using chromogenic spectrozyme 9a as substrate after 10 mins by spectrophotometry				Eur J Med Chem 54: 771-83 (2012) Article DOI: 10.1016/j.ejmech.2012.06.032 BindingDB Entry DOI: 10.7270/Q20P1126
					More data for this Ligand-Target Pair