BDBM50404122 CHEMBL146079

SMILES: COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl

InChI Key: InChIKey=GZUZWPNOXCTYDQ-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50404122   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50404122 (CHEMBL146079) Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl Show InChI InChI=1S/C23H15Cl3N2O3S/c1-31-17-11-13(25)10-16(22(29)27-14-8-6-12(24)7-9-14)20(17)28-23(30)21-19(26)15-4-2-3-5-18(15)32-21/h2-11H,1H3,(H,27,29)(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition constant against human factor Xa				Bioorg Med Chem Lett 13: 507-11 (2003) BindingDB Entry DOI: 10.7270/Q21N829C
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50404122 (CHEMBL146079) Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl Show InChI InChI=1S/C23H15Cl3N2O3S/c1-31-17-11-13(25)10-16(22(29)27-14-8-6-12(24)7-9-14)20(17)28-23(30)21-19(26)15-4-2-3-5-18(15)32-21/h2-11H,1H3,(H,27,29)(H,28,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition constant against bovine trypsin				Bioorg Med Chem Lett 13: 507-11 (2003) BindingDB Entry DOI: 10.7270/Q21N829C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50404122 (CHEMBL146079) Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl Show InChI InChI=1S/C23H15Cl3N2O3S/c1-31-17-11-13(25)10-16(22(29)27-14-8-6-12(24)7-9-14)20(17)28-23(30)21-19(26)15-4-2-3-5-18(15)32-21/h2-11H,1H3,(H,27,29)(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition constant against human thrombin				Bioorg Med Chem Lett 13: 507-11 (2003) BindingDB Entry DOI: 10.7270/Q21N829C
					More data for this Ligand-Target Pair