BDBM50322344 (R)-Methyl4-(2-(3-((4-chloro-2-(trifluoromethyl)phenylcarbamoyloxy)-5-(methoxyphenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)acetamido)but-2-enoate::CHEMBL1171634

SMILES: COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(OC)cc1

InChI Key: InChIKey=LTEVKXRSBMANJL-JLEGMICCSA-N

Data: 3 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 3 hits for monomerid = 50322344   

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
Cathepsin B (Homo sapiens (Human))	BDBM50322344 ((R)-Methyl4-(2-(3-((4-chloro-2-(trifluoromethyl)ph...) Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(OC)cc1 |r,c:19| Show InChI InChI=1S/C32H28ClF3N4O7/c1-45-21-12-9-19(10-13-21)29-22-6-3-4-7-26(22)40(17-27(41)37-15-5-8-28(42)46-2)30(43)25(38-29)18-47-31(44)39-24-14-11-20(33)16-23(24)32(34,35)36/h3-14,16,25H,15,17-18H2,1-2H3,(H,37,41)(H,39,44)/b8-5+/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				Bioorg Med Chem 18: 4928-38 (2010) Article DOI: 10.1016/j.bmc.2010.06.010 BindingDB Entry DOI: 10.7270/Q2NK3G1R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50322344 ((R)-Methyl4-(2-(3-((4-chloro-2-(trifluoromethyl)ph...) Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(OC)cc1 |r,c:19| Show InChI InChI=1S/C32H28ClF3N4O7/c1-45-21-12-9-19(10-13-21)29-22-6-3-4-7-26(22)40(17-27(41)37-15-5-8-28(42)46-2)30(43)25(38-29)18-47-31(44)39-24-14-11-20(33)16-23(24)32(34,35)36/h3-14,16,25H,15,17-18H2,1-2H3,(H,37,41)(H,39,44)/b8-5+/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.99E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem 18: 4928-38 (2010) Article DOI: 10.1016/j.bmc.2010.06.010 BindingDB Entry DOI: 10.7270/Q2NK3G1R
					More data for this Ligand-Target Pair
Falcipain-2 (Plasmodium falciparum)	BDBM50322344 ((R)-Methyl4-(2-(3-((4-chloro-2-(trifluoromethyl)ph...) Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(OC)cc1 |r,c:19| Show InChI InChI=1S/C32H28ClF3N4O7/c1-45-21-12-9-19(10-13-21)29-22-6-3-4-7-26(22)40(17-27(41)37-15-5-8-28(42)46-2)30(43)25(38-29)18-47-31(44)39-24-14-11-20(33)16-23(24)32(34,35)36/h3-14,16,25H,15,17-18H2,1-2H3,(H,37,41)(H,39,44)/b8-5+/t25-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min				Bioorg Med Chem 18: 4928-38 (2010) Article DOI: 10.1016/j.bmc.2010.06.010 BindingDB Entry DOI: 10.7270/Q2NK3G1R
					More data for this Ligand-Target Pair