BDBM50046897 2-Acetylamino-3-methyl-pentanoic acid [1-(1-formyl-4-guanidino-butylcarbamoyl)-3-methyl-butyl]-amide::CHEMBL2373047

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O

InChI Key: InChIKey=CRVFSZJBXPGLOQ-HJWJTTGWSA-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 = 50046897   

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
Thrombin (Bos taurus (Bovine))	BDBM50046897 (2-Acetylamino-3-methyl-pentanoic acid [1-(1-formyl...) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C20H38N6O4/c1-6-13(4)17(24-14(5)28)19(30)26-16(10-12(2)3)18(29)25-15(11-27)8-7-9-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t13-,15-,16-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of thrombin with benzoyl-Phe-Val-arginine- p-nitroanilide as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50046897 (2-Acetylamino-3-methyl-pentanoic acid [1-(1-formyl...) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C20H38N6O4/c1-6-13(4)17(24-14(5)28)19(30)26-16(10-12(2)3)18(29)25-15(11-27)8-7-9-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t13-,15-,16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of kallikrein with benzoyl-L-arginine ethyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Plasminogen (Bos taurus)	BDBM50046897 (2-Acetylamino-3-methyl-pentanoic acid [1-(1-formyl...) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C20H38N6O4/c1-6-13(4)17(24-14(5)28)19(30)26-16(10-12(2)3)18(29)25-15(11-27)8-7-9-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t13-,15-,16-,17-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair