BDBM50012998 CHEMBL2371625::{1-[1-(5-Amino-1-formyl-pentylcarbamoyl)-2-methyl-propylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester

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

InChI Key: InChIKey=YFFIKGWBJWHXNP-FKBYEOEOSA-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 = 50012998   

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
Kallikrein-1 (KLK1) (Homo sapiens (Human))	BDBM50012998 (CHEMBL2371625 | {1-[1-(5-Amino-1-formyl-pentylcarb...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C=O |r| Show InChI InChI=1S/C25H40N4O5/c1-17(2)14-21(28-25(33)34-16-19-10-6-5-7-11-19)23(31)29-22(18(3)4)24(32)27-20(15-30)12-8-9-13-26/h5-7,10-11,15,17-18,20-22H,8-9,12-14,16,26H2,1-4H3,(H,27,32)(H,28,33)(H,29,31)/t20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.48E+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))	BDBM50012998 (CHEMBL2371625 | {1-[1-(5-Amino-1-formyl-pentylcarb...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C=O |r| Show InChI InChI=1S/C25H40N4O5/c1-17(2)14-21(28-25(33)34-16-19-10-6-5-7-11-19)23(31)29-22(18(3)4)24(32)27-20(15-30)12-8-9-13-26/h5-7,10-11,15,17-18,20-22H,8-9,12-14,16,26H2,1-4H3,(H,27,32)(H,28,33)(H,29,31)/t20-,21-,22-/m0/s1	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)	BDBM50012998 (CHEMBL2371625 | {1-[1-(5-Amino-1-formyl-pentylcarb...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C=O |r| Show InChI InChI=1S/C25H40N4O5/c1-17(2)14-21(28-25(33)34-16-19-10-6-5-7-11-19)23(31)29-22(18(3)4)24(32)27-20(15-30)12-8-9-13-26/h5-7,10-11,15,17-18,20-22H,8-9,12-14,16,26H2,1-4H3,(H,27,32)(H,28,33)(H,29,31)/t20-,21-,22-/m0/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.85E+4	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