BDBM50013003 CHEMBL171647::CHEMBL3143639::{1-[1-(5-Amino-1-formyl-pentylcarbamoyl)-3-methyl-butylcarbamoyl]-2-phenyl-ethyl}-carbamic acid benzyl ester

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C=O

InChI Key: InChIKey=NBWOGVRHTNQEQI-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 = 50013003   

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-1 (Homo sapiens (Human))	BDBM50013003 (CHEMBL3143639 | {1-[1-(5-Amino-1-formyl-pentylcarb...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C=O |r| Show InChI InChI=1S/C29H40N4O5/c1-21(2)17-25(27(35)31-24(19-34)15-9-10-16-30)32-28(36)26(18-22-11-5-3-6-12-22)33-29(37)38-20-23-13-7-4-8-14-23/h3-8,11-14,19,21,24-26H,9-10,15-18,20,30H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Evaluated for the inhibition of trypsin.(no inhibition at 400 microM)				J Med Chem 33: 86-93 (1990) BindingDB Entry DOI: 10.7270/Q2028QHR
					More data for this Ligand-Target Pair
Plasmin (Rattus norvegicus)	BDBM50013003 (CHEMBL3143639 | {1-[1-(5-Amino-1-formyl-pentylcarb...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C=O |r| Show InChI InChI=1S/C29H40N4O5/c1-21(2)17-25(27(35)31-24(19-34)15-9-10-16-30)32-28(36)26(18-22-11-5-3-6-12-22)33-29(37)38-20-23-13-7-4-8-14-23/h3-8,11-14,19,21,24-26H,9-10,15-18,20,30H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of plasmin				J Med Chem 33: 86-93 (1990) BindingDB Entry DOI: 10.7270/Q2028QHR
					More data for this Ligand-Target Pair
Kallikrein-1 (KLK1) (Homo sapiens (Human))	BDBM50013003 (CHEMBL3143639 | {1-[1-(5-Amino-1-formyl-pentylcarb...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C=O |r| Show InChI InChI=1S/C29H40N4O5/c1-21(2)17-25(27(35)31-24(19-34)15-9-10-16-30)32-28(36)26(18-22-11-5-3-6-12-22)33-29(37)38-20-23-13-7-4-8-14-23/h3-8,11-14,19,21,24-26H,9-10,15-18,20,30H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of Kallikrein proteolytic enzyme				J Med Chem 33: 86-93 (1990) BindingDB Entry DOI: 10.7270/Q2028QHR
					More data for this Ligand-Target Pair