BDBM50404126 CHEMBL147982

SMILES: Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccccn1

InChI Key: InChIKey=MDWOVSWDZAPVSD-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 = 50404126   

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))	BDBM50404126 (CHEMBL147982) Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C22H16ClN3O2S/c1-13-9-10-16(15(12-13)21(27)26-18-8-4-5-11-24-18)25-22(28)20-19(23)14-6-2-3-7-17(14)29-20/h2-12H,1H3,(H,25,28)(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	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))	BDBM50404126 (CHEMBL147982) Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C22H16ClN3O2S/c1-13-9-10-16(15(12-13)21(27)26-18-8-4-5-11-24-18)25-22(28)20-19(23)14-6-2-3-7-17(14)29-20/h2-12H,1H3,(H,25,28)(H,24,26,27)	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))	BDBM50404126 (CHEMBL147982) Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C22H16ClN3O2S/c1-13-9-10-16(15(12-13)21(27)26-18-8-4-5-11-24-18)25-22(28)20-19(23)14-6-2-3-7-17(14)29-20/h2-12H,1H3,(H,25,28)(H,24,26,27)	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