BDBM50322346 (R)-Methyl4-(2-(3-((naphthalen-1-ylcarbamoyloxy)methyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)acetamido)but-2-enoate::CHEMBL1171636

SMILES: COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2cccc3ccccc23)C1=O)c1ccccc1

InChI Key: InChIKey=UAJOTLYJEAIKDS-SOJHQBKKSA-N

Data: 4 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 4 hits for monomerid = 50322346   

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
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50322346 ((R)-Methyl4-(2-(3-((naphthalen-1-ylcarbamoyloxy)me...) Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2cccc3ccccc23)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C34H30N4O6/c1-43-31(40)19-10-20-35-30(39)21-38-29-18-8-7-16-26(29)32(24-12-3-2-4-13-24)36-28(33(38)41)22-44-34(42)37-27-17-9-14-23-11-5-6-15-25(23)27/h2-19,28H,20-22H2,1H3,(H,35,39)(H,37,42)/b19-10+/t28-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	930	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 Trypanosoma brucei rhodesiense rhodesain after 10 mins				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)	BDBM50322346 ((R)-Methyl4-(2-(3-((naphthalen-1-ylcarbamoyloxy)me...) Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2cccc3ccccc23)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C34H30N4O6/c1-43-31(40)19-10-20-35-30(39)21-38-29-18-8-7-16-26(29)32(24-12-3-2-4-13-24)36-28(33(38)41)22-44-34(42)37-27-17-9-14-23-11-5-6-15-25(23)27/h2-19,28H,20-22H2,1H3,(H,35,39)(H,37,42)/b19-10+/t28-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.48E+3	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
Procathepsin L (Homo sapiens (Human))	BDBM50322346 ((R)-Methyl4-(2-(3-((naphthalen-1-ylcarbamoyloxy)me...) Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2cccc3ccccc23)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C34H30N4O6/c1-43-31(40)19-10-20-35-30(39)21-38-29-18-8-7-16-26(29)32(24-12-3-2-4-13-24)36-28(33(38)41)22-44-34(42)37-27-17-9-14-23-11-5-6-15-25(23)27/h2-19,28H,20-22H2,1H3,(H,35,39)(H,37,42)/b19-10+/t28-/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	1.22E+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
Cathepsin B (Homo sapiens (Human))	BDBM50322346 ((R)-Methyl4-(2-(3-((naphthalen-1-ylcarbamoyloxy)me...) Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2cccc3ccccc23)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C34H30N4O6/c1-43-31(40)19-10-20-35-30(39)21-38-29-18-8-7-16-26(29)32(24-12-3-2-4-13-24)36-28(33(38)41)22-44-34(42)37-27-17-9-14-23-11-5-6-15-25(23)27/h2-19,28H,20-22H2,1H3,(H,35,39)(H,37,42)/b19-10+/t28-/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	2.50E+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