BDBM50149095 CHEMBL124657::N-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-yl]-2-[4-(3-oxo-morpholin-4-yl)-phenyl]-acetamide

SMILES: Clc1ccc(s1)-c1nc2ccc(NC(=O)Cc3ccc(cc3)N3CCOCC3=O)cc2[nH]1

InChI Key: InChIKey=ZGDKIPGELVKHRS-UHFFFAOYSA-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 = 50149095   

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
Trypsin (Homo sapiens (Human))	BDBM50149095 (CHEMBL124657 | N-[2-(5-Chloro-thiophen-2-yl)-1H-be...) Show SMILES Clc1ccc(s1)-c1nc2ccc(NC(=O)Cc3ccc(cc3)N3CCOCC3=O)cc2[nH]1 Show InChI InChI=1S/C23H19ClN4O3S/c24-20-8-7-19(32-20)23-26-17-6-3-15(12-18(17)27-23)25-21(29)11-14-1-4-16(5-2-14)28-9-10-31-13-22(28)30/h1-8,12H,9-11,13H2,(H,25,29)(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Binding affinity against human trypsin				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50149095 (CHEMBL124657 | N-[2-(5-Chloro-thiophen-2-yl)-1H-be...) Show SMILES Clc1ccc(s1)-c1nc2ccc(NC(=O)Cc3ccc(cc3)N3CCOCC3=O)cc2[nH]1 Show InChI InChI=1S/C23H19ClN4O3S/c24-20-8-7-19(32-20)23-26-17-6-3-15(12-18(17)27-23)25-21(29)11-14-1-4-16(5-2-14)28-9-10-31-13-22(28)30/h1-8,12H,9-11,13H2,(H,25,29)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149095 (CHEMBL124657 | N-[2-(5-Chloro-thiophen-2-yl)-1H-be...) Show SMILES Clc1ccc(s1)-c1nc2ccc(NC(=O)Cc3ccc(cc3)N3CCOCC3=O)cc2[nH]1 Show InChI InChI=1S/C23H19ClN4O3S/c24-20-8-7-19(32-20)23-26-17-6-3-15(12-18(17)27-23)25-21(29)11-14-1-4-16(5-2-14)28-9-10-31-13-22(28)30/h1-8,12H,9-11,13H2,(H,25,29)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Binding affinity against human thrombin.				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair