BDBM50404138 CHEMBL149764

SMILES: COc1c(sc2ccccc12)C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=HMHDXNVPVJOWEH-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 = 50404138   

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))	BDBM50404138 (CHEMBL149764) Show SMILES COc1c(sc2ccccc12)C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C24H19ClN2O3S/c1-14-7-12-19(18(13-14)23(28)26-16-10-8-15(25)9-11-16)27-24(29)22-21(30-2)17-5-3-4-6-20(17)31-22/h3-13H,1-2H3,(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	5.90	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))	BDBM50404138 (CHEMBL149764) Show SMILES COc1c(sc2ccccc12)C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C24H19ClN2O3S/c1-14-7-12-19(18(13-14)23(28)26-16-10-8-15(25)9-11-16)27-24(29)22-21(30-2)17-5-3-4-6-20(17)31-22/h3-13H,1-2H3,(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))	BDBM50404138 (CHEMBL149764) Show SMILES COc1c(sc2ccccc12)C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C24H19ClN2O3S/c1-14-7-12-19(18(13-14)23(28)26-16-10-8-15(25)9-11-16)27-24(29)22-21(30-2)17-5-3-4-6-20(17)31-22/h3-13H,1-2H3,(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