BDBM50330030 CHEMBL1269632::[(3-Bromophenyl)-(3-hydroxyphenyl)-ketone]thiosemicarbazone

SMILES: NC(=S)NN=C(c1cccc(O)c1)c1cccc(Br)c1

InChI Key: InChIKey=ZDBKSZKTCPOBFR-UHFFFAOYSA-N

Data: 1 KI  2 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 = 50330030   

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
Procathepsin L (Homo sapiens (Human))	BDBM50330030 (CHEMBL1269632 | [(3-Bromophenyl)-(3-hydroxyphenyl)...) Show SMILES NC(=S)NN=C(c1cccc(O)c1)c1cccc(Br)c1 |w:4.3| Show InChI InChI=1S/C14H12BrN3OS/c15-11-5-1-3-9(7-11)13(17-18-14(16)20)10-4-2-6-12(19)8-10/h1-8,19H,(H3,16,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Covalent/reversible inhibition of human liver cathepsin-L using Z-FR-AMC as substrate preincubated for 5 mins followed by substrate addition measured...				Bioorg Med Chem Lett 27: 1304-1310 (2017) BindingDB Entry DOI: 10.7270/Q23B62C1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50330030 (CHEMBL1269632 | [(3-Bromophenyl)-(3-hydroxyphenyl)...) Show SMILES NC(=S)NN=C(c1cccc(O)c1)c1cccc(Br)c1 |w:4.3| Show InChI InChI=1S/C14H12BrN3OS/c15-11-5-1-3-9(7-11)13(17-18-14(16)20)10-4-2-6-12(19)8-10/h1-8,19H,(H3,16,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis				Bioorg Med Chem Lett 20: 6610-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.026 BindingDB Entry DOI: 10.7270/Q2MP53HZ
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50330030 (CHEMBL1269632 | [(3-Bromophenyl)-(3-hydroxyphenyl)...) Show SMILES NC(=S)NN=C(c1cccc(O)c1)c1cccc(Br)c1 |w:4.3| Show InChI InChI=1S/C14H12BrN3OS/c15-11-5-1-3-9(7-11)13(17-18-14(16)20)10-4-2-6-12(19)8-10/h1-8,19H,(H3,16,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis				Bioorg Med Chem Lett 20: 6610-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.026 BindingDB Entry DOI: 10.7270/Q2MP53HZ
					More data for this Ligand-Target Pair