BDBM50451635 CHEMBL4217658

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)OCc1ccccc1

InChI Key: InChIKey=HMFFGYQURGZOPP-SFHVURJKSA-N

Data: 1 KI

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 = 50451635   

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
Cruzipain (Trypanosoma cruzi)	BDBM50451635 (CHEMBL4217658) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)OCc1ccccc1 |r| Show InChI InChI=1S/C21H21N3O3/c22-15-21(11-12-21)24-19(25)18(13-16-7-3-1-4-8-16)23-20(26)27-14-17-9-5-2-6-10-17/h1-10,18H,11-14H2,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50451635 (CHEMBL4217658) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)OCc1ccccc1 |r| Show InChI InChI=1S/C21H21N3O3/c22-15-21(11-12-21)24-19(25)18(13-16-7-3-1-4-8-16)23-20(26)27-14-17-9-5-2-6-10-17/h1-10,18H,11-14H2,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method				Bioorg Med Chem Lett 27: 5031-5035 (2017) Article DOI: 10.1016/j.bmcl.2017.10.002 BindingDB Entry DOI: 10.7270/Q2125W7D
					More data for this Ligand-Target Pair