BDBM50513777 CHEMBL4534212

SMILES: CC(=O)Oc1ccc(cc1)C1Oc2cc(OC(C)=O)cc(O)c2C(=O)C1c1c(OC(C)=O)cc(O)c2c1oc(cc2=O)-c1ccc(OC(C)=O)c(OC(C)=O)c1

InChI Key: InChIKey=DYISCPPMYSWRMD-UHFFFAOYSA-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 = 50513777   

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
Papain (Carica papaya)	BDBM50513777 (CHEMBL4534212) Show SMILES CC(=O)Oc1ccc(cc1)C1Oc2cc(OC(C)=O)cc(O)c2C(=O)C1c1c(OC(C)=O)cc(O)c2c1oc(cc2=O)-c1ccc(OC(C)=O)c(OC(C)=O)c1 Show InChI InChI=1S/C40H30O16/c1-17(41)50-24-9-6-22(7-10-24)39-37(38(49)35-26(46)13-25(51-18(2)42)14-32(35)56-39)36-33(54-21(5)45)16-28(48)34-27(47)15-30(55-40(34)36)23-8-11-29(52-19(3)43)31(12-23)53-20(4)44/h6-16,37,39,46,48H,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of Papaya papain using Z-FR-MCA as substrate by spectrofluorimetric method				J Nat Prod 82: 657-679 (2019) Article DOI: 10.1021/acs.jnatprod.9b00018
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50513777 (CHEMBL4534212) Show SMILES CC(=O)Oc1ccc(cc1)C1Oc2cc(OC(C)=O)cc(O)c2C(=O)C1c1c(OC(C)=O)cc(O)c2c1oc(cc2=O)-c1ccc(OC(C)=O)c(OC(C)=O)c1 Show InChI InChI=1S/C40H30O16/c1-17(41)50-24-9-6-22(7-10-24)39-37(38(49)35-26(46)13-25(51-18(2)42)14-32(35)56-39)36-33(54-21(5)45)16-28(48)34-27(47)15-30(55-40(34)36)23-8-11-29(52-19(3)43)31(12-23)53-20(4)44/h6-16,37,39,46,48H,1-5H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain (unknown origin) using Z-FR-MCA as substrate by spectrofluorimetric method				J Nat Prod 82: 657-679 (2019) Article DOI: 10.1021/acs.jnatprod.9b00018
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513777 (CHEMBL4534212) Show SMILES CC(=O)Oc1ccc(cc1)C1Oc2cc(OC(C)=O)cc(O)c2C(=O)C1c1c(OC(C)=O)cc(O)c2c1oc(cc2=O)-c1ccc(OC(C)=O)c(OC(C)=O)c1 Show InChI InChI=1S/C40H30O16/c1-17(41)50-24-9-6-22(7-10-24)39-37(38(49)35-26(46)13-25(51-18(2)42)14-32(35)56-39)36-33(54-21(5)45)16-28(48)34-27(47)15-30(55-40(34)36)23-8-11-29(52-19(3)43)31(12-23)53-20(4)44/h6-16,37,39,46,48H,1-5H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Z-FR-MCA as substrate by spectrofluorimetric method				J Nat Prod 82: 657-679 (2019) Article DOI: 10.1021/acs.jnatprod.9b00018
					More data for this Ligand-Target Pair