BDBM50024538 CHEMBL3330490

SMILES: [H][C@@]12CCc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O

InChI Key: InChIKey=DWIJIDWSULQVIV-HOTGVXAUSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50024538   

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
Prothrombin (Homo sapiens (Human))	BDBM50024538 (CHEMBL3330490) Show SMILES [H][C@@]12CCc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-6-5-17(31-18)20(27)23-10-16-15-3-1-12-9-13(24-7-8-29-11-19(24)26)2-4-14(12)25(15)21(28)30-16/h2,4-6,9,15-16H,1,3,7-8,10-11H2,(H,23,27)/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human factor 2a using L-pyro-Glu-Pro-ArgpNA, S-2366 chromogenic substrate				J Med Chem 57: 7770-91 (2014) Article DOI: 10.1021/jm501045e BindingDB Entry DOI: 10.7270/Q228095Z
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50024538 (CHEMBL3330490) Show SMILES [H][C@@]12CCc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-6-5-17(31-18)20(27)23-10-16-15-3-1-12-9-13(24-7-8-29-11-19(24)26)2-4-14(12)25(15)21(28)30-16/h2,4-6,9,15-16H,1,3,7-8,10-11H2,(H,23,27)/t15-,16-/m0/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+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human factor 7a using S-2366 chromogenic substrate				J Med Chem 57: 7770-91 (2014) Article DOI: 10.1021/jm501045e BindingDB Entry DOI: 10.7270/Q228095Z
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50024538 (CHEMBL3330490) Show SMILES [H][C@@]12CCc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-6-5-17(31-18)20(27)23-10-16-15-3-1-12-9-13(24-7-8-29-11-19(24)26)2-4-14(12)25(15)21(28)30-16/h2,4-6,9,15-16H,1,3,7-8,10-11H2,(H,23,27)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate				J Med Chem 57: 7770-91 (2014) Article DOI: 10.1021/jm501045e BindingDB Entry DOI: 10.7270/Q228095Z
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50024538 (CHEMBL3330490) Show SMILES [H][C@@]12CCc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-6-5-17(31-18)20(27)23-10-16-15-3-1-12-9-13(24-7-8-29-11-19(24)26)2-4-14(12)25(15)21(28)30-16/h2,4-6,9,15-16H,1,3,7-8,10-11H2,(H,23,27)/t15-,16-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human trypsin using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate				J Med Chem 57: 7770-91 (2014) Article DOI: 10.1021/jm501045e BindingDB Entry DOI: 10.7270/Q228095Z
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50024538 (CHEMBL3330490) Show SMILES [H][C@@]12CCc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-6-5-17(31-18)20(27)23-10-16-15-3-1-12-9-13(24-7-8-29-11-19(24)26)2-4-14(12)25(15)21(28)30-16/h2,4-6,9,15-16H,1,3,7-8,10-11H2,(H,23,27)/t15-,16-/m0/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+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human factor 11a using S-2366 chromogenic substrate				J Med Chem 57: 7770-91 (2014) Article DOI: 10.1021/jm501045e BindingDB Entry DOI: 10.7270/Q228095Z
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50024538 (CHEMBL3330490) Show SMILES [H][C@@]12CCc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-6-5-17(31-18)20(27)23-10-16-15-3-1-12-9-13(24-7-8-29-11-19(24)26)2-4-14(12)25(15)21(28)30-16/h2,4-6,9,15-16H,1,3,7-8,10-11H2,(H,23,27)/t15-,16-/m0/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+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human factor 9a using CH3SO2-(D)CHG Gly-Arg-pNA, Biophen-CS51 chromogenic substrate				J Med Chem 57: 7770-91 (2014) Article DOI: 10.1021/jm501045e BindingDB Entry DOI: 10.7270/Q228095Z
					More data for this Ligand-Target Pair