BDBM50013002 CHEMBL176386::CHEMBL3143643::{1-[1-(4-Amino-1-formyl-butylcarbamoyl)-2-phenyl-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester

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

InChI Key: InChIKey=WXHJKSDMWKZXDV-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 = 50013002   

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
Plasmin (Rattus norvegicus)	BDBM50013002 (CHEMBL3143643 | {1-[1-(4-Amino-1-formyl-butylcarba...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C=O |r| Show InChI InChI=1S/C28H38N4O5/c1-20(2)16-24(32-28(36)37-19-22-12-7-4-8-13-22)27(35)31-25(17-21-10-5-3-6-11-21)26(34)30-23(18-33)14-9-15-29/h3-8,10-13,18,20,23-25H,9,14-17,19,29H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 plasmin.( 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
Kallikrein 1 (Homo sapiens (Human))	BDBM50013002 (CHEMBL3143643 | {1-[1-(4-Amino-1-formyl-butylcarba...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C=O |r| Show InChI InChI=1S/C28H38N4O5/c1-20(2)16-24(32-28(36)37-19-22-12-7-4-8-13-22)27(35)31-25(17-21-10-5-3-6-11-21)26(34)30-23(18-33)14-9-15-29/h3-8,10-13,18,20,23-25H,9,14-17,19,29H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.24E+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
Trypsin-1 (Homo sapiens (Human))	BDBM50013002 (CHEMBL3143643 | {1-[1-(4-Amino-1-formyl-butylcarba...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C=O |r| Show InChI InChI=1S/C28H38N4O5/c1-20(2)16-24(32-28(36)37-19-22-12-7-4-8-13-22)27(35)31-25(17-21-10-5-3-6-11-21)26(34)30-23(18-33)14-9-15-29/h3-8,10-13,18,20,23-25H,9,14-17,19,29H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)	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