BDBM50322345 (R)-Methyl4-(2-(3-((4-methoxyphenylcarbamoyloxy)methyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)acetamido)but-2-enoate::CHEMBL1171635

SMILES: COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(OC)cc2)C1=O)c1ccccc1

InChI Key: InChIKey=OHEJOLVWZJMOFE-BPWUHNBSSA-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 = 50322345   

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))	BDBM50322345 ((R)-Methyl4-(2-(3-((4-methoxyphenylcarbamoyloxy)me...) Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(OC)cc2)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C31H30N4O7/c1-40-23-16-14-22(15-17-23)33-31(39)42-20-25-30(38)35(19-27(36)32-18-8-13-28(37)41-2)26-12-7-6-11-24(26)29(34-25)21-9-4-3-5-10-21/h3-17,25H,18-20H2,1-2H3,(H,32,36)(H,33,39)/b13-8+/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	2.23E+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 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
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50322345 ((R)-Methyl4-(2-(3-((4-methoxyphenylcarbamoyloxy)me...) Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(OC)cc2)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C31H30N4O7/c1-40-23-16-14-22(15-17-23)33-31(39)42-20-25-30(38)35(19-27(36)32-18-8-13-28(37)41-2)26-12-7-6-11-24(26)29(34-25)21-9-4-3-5-10-21/h3-17,25H,18-20H2,1-2H3,(H,32,36)(H,33,39)/b13-8+/t25-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+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 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
Procathepsin L (Homo sapiens (Human))	BDBM50322345 ((R)-Methyl4-(2-(3-((4-methoxyphenylcarbamoyloxy)me...) Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(OC)cc2)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C31H30N4O7/c1-40-23-16-14-22(15-17-23)33-31(39)42-20-25-30(38)35(19-27(36)32-18-8-13-28(37)41-2)26-12-7-6-11-24(26)29(34-25)21-9-4-3-5-10-21/h3-17,25H,18-20H2,1-2H3,(H,32,36)(H,33,39)/b13-8+/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	1.20E+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)	BDBM50322345 ((R)-Methyl4-(2-(3-((4-methoxyphenylcarbamoyloxy)me...) Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(OC)cc2)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C31H30N4O7/c1-40-23-16-14-22(15-17-23)33-31(39)42-20-25-30(38)35(19-27(36)32-18-8-13-28(37)41-2)26-12-7-6-11-24(26)29(34-25)21-9-4-3-5-10-21/h3-17,25H,18-20H2,1-2H3,(H,32,36)(H,33,39)/b13-8+/t25-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.51E+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 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