BDBM50155615 5-Chloro-thiophene-2-carboxylic acid {(R)-3-methyl-1-[3-methyl-4-(3-oxo-morpholin-4-yl)-phenylcarbamoyl]-butyl}-amide::CHEMBL427333

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1

InChI Key: InChIKey=CAINJQZABOHLSW-MRXNPFEDSA-N

Data: 3 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 3 hits for monomerid = 50155615   

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))	BDBM50155615 (5-Chloro-thiophene-2-carboxylic acid {(R)-3-methyl...) Show SMILES CC(C)C[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 Show InChI InChI=1S/C22H26ClN3O4S/c1-13(2)10-16(25-22(29)18-6-7-19(23)31-18)21(28)24-15-4-5-17(14(3)11-15)26-8-9-30-12-20(26)27/h4-7,11,13,16H,8-10,12H2,1-3H3,(H,24,28)(H,25,29)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human serine protease factor Xa				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Trypsin II (Homo sapiens (Human))	BDBM50155615 (5-Chloro-thiophene-2-carboxylic acid {(R)-3-methyl...) Show SMILES CC(C)C[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 Show InChI InChI=1S/C22H26ClN3O4S/c1-13(2)10-16(25-22(29)18-6-7-19(23)31-18)21(28)24-15-4-5-17(14(3)11-15)26-8-9-30-12-20(26)27/h4-7,11,13,16H,8-10,12H2,1-3H3,(H,24,28)(H,25,29)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50155615 (5-Chloro-thiophene-2-carboxylic acid {(R)-3-methyl...) Show SMILES CC(C)C[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 Show InChI InChI=1S/C22H26ClN3O4S/c1-13(2)10-16(25-22(29)18-6-7-19(23)31-18)21(28)24-15-4-5-17(14(3)11-15)26-8-9-30-12-20(26)27/h4-7,11,13,16H,8-10,12H2,1-3H3,(H,24,28)(H,25,29)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human thrombin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair