BDBM50111714 CHEMBL416912::N-(4-Carbamimidoyl-2-methoxy-benzyl)-2-[3-(3-methoxy-benzenesulfonylamino)-2-oxo-2H-pyridin-1-yl]-acetamide

SMILES: COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2OC)C(N)=N)c1=O

InChI Key: InChIKey=KLBBHAHSBBTWTB-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 = 50111714   

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
Prothrombin (Homo sapiens (Human))	BDBM50111714 (CHEMBL416912 | N-(4-Carbamimidoyl-2-methoxy-benzyl...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2OC)C(N)=N)c1=O Show InChI InChI=1S/C23H25N5O6S/c1-33-17-5-3-6-18(12-17)35(31,32)27-19-7-4-10-28(23(19)30)14-21(29)26-13-16-9-8-15(22(24)25)11-20(16)34-2/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50111714 (CHEMBL416912 | N-(4-Carbamimidoyl-2-methoxy-benzyl...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2OC)C(N)=N)c1=O Show InChI InChI=1S/C23H25N5O6S/c1-33-17-5-3-6-18(12-17)35(31,32)27-19-7-4-10-28(23(19)30)14-21(29)26-13-16-9-8-15(22(24)25)11-20(16)34-2/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against trypsin				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50111714 (CHEMBL416912 | N-(4-Carbamimidoyl-2-methoxy-benzyl...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2OC)C(N)=N)c1=O Show InChI InChI=1S/C23H25N5O6S/c1-33-17-5-3-6-18(12-17)35(31,32)27-19-7-4-10-28(23(19)30)14-21(29)26-13-16-9-8-15(22(24)25)11-20(16)34-2/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against factor Xa (FXa) was tested				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair