BDBM50111721 CHEMBL283555::N-(4-Carbamimidoyl-2-chloro-benzyl)-2-[3-(3-methoxy-benzenesulfonylamino)-2-oxo-2H-pyridin-1-yl]-acetamide

SMILES: COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2Cl)C(N)=N)c1=O

InChI Key: InChIKey=MTPIBEHXUUEJRW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50111721   

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))	BDBM50111721 (CHEMBL283555 | N-(4-Carbamimidoyl-2-chloro-benzyl)...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2Cl)C(N)=N)c1=O Show InChI InChI=1S/C22H22ClN5O5S/c1-33-16-4-2-5-17(11-16)34(31,32)27-19-6-3-9-28(22(19)30)13-20(29)26-12-15-8-7-14(21(24)25)10-18(15)23/h2-11,27H,12-13H2,1H3,(H3,24,25)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	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))	BDBM50111721 (CHEMBL283555 | N-(4-Carbamimidoyl-2-chloro-benzyl)...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2Cl)C(N)=N)c1=O Show InChI InChI=1S/C22H22ClN5O5S/c1-33-16-4-2-5-17(11-16)34(31,32)27-19-6-3-9-28(22(19)30)13-20(29)26-12-15-8-7-14(21(24)25)10-18(15)23/h2-11,27H,12-13H2,1H3,(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	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 trypsin				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair