BDBM50404117 CHEMBL146641

SMILES: Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c(NC(=O)c2sc3ccccc3c2Cl)c1

InChI Key: InChIKey=USYDFLLVKNQQSI-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 = 50404117   

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))	BDBM50404117 (CHEMBL146641) Show SMILES Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c(NC(=O)c2sc3ccccc3c2Cl)c1 Show InChI InChI=1S/C23H16Cl2N2O2S/c1-13-6-11-16(22(28)26-15-9-7-14(24)8-10-15)18(12-13)27-23(29)21-20(25)17-4-2-3-5-19(17)30-21/h2-12H,1H3,(H,26,28)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20	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))	BDBM50404117 (CHEMBL146641) Show SMILES Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c(NC(=O)c2sc3ccccc3c2Cl)c1 Show InChI InChI=1S/C23H16Cl2N2O2S/c1-13-6-11-16(22(28)26-15-9-7-14(24)8-10-15)18(12-13)27-23(29)21-20(25)17-4-2-3-5-19(17)30-21/h2-12H,1H3,(H,26,28)(H,27,29)	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))	BDBM50404117 (CHEMBL146641) Show SMILES Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c(NC(=O)c2sc3ccccc3c2Cl)c1 Show InChI InChI=1S/C23H16Cl2N2O2S/c1-13-6-11-16(22(28)26-15-9-7-14(24)8-10-15)18(12-13)27-23(29)21-20(25)17-4-2-3-5-19(17)30-21/h2-12H,1H3,(H,26,28)(H,27,29)	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