BDBM14921 2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-hydroxyphenyl)phenyl]butanedioic acid::5-amidino benzimidazole analog 32::CHEMBL382418

SMILES: NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(O)c2)c1O)C(CC(O)=O)C(O)=O

InChI Key: InChIKey=AQESQZZCMQJOJU-UHFFFAOYSA-N

Data: 2 KI

PDB links: 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 14921   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM14921 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(O)c2)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H20N4O6/c25-22(26)12-4-5-18-19(9-12)28-23(27-18)17-8-13(16(24(33)34)10-20(30)31)7-15(21(17)32)11-2-1-3-14(29)6-11/h1-9,16,29,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to plasma kallikrein				Bioorg Med Chem Lett 16: 2034-6 (2006) Article DOI: 10.1016/j.bmcl.2005.12.060 BindingDB Entry DOI: 10.7270/Q2P55N3N
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14921 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(O)c2)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H20N4O6/c25-22(26)12-4-5-18-19(9-12)28-23(27-18)17-8-13(16(24(33)34)10-20(30)31)7-15(21(17)32)11-2-1-3-14(29)6-11/h1-9,16,29,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair