BDBM50260366 CHEMBL4065391

SMILES: CCCCCCCC1OC1C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1

InChI Key: InChIKey=JGYPSIUZIQZSFE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50260366   

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))	BDBM50260366 (CHEMBL4065391) Show SMILES CCCCCCCC1OC1C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260366 (CHEMBL4065391) Show SMILES CCCCCCCC1OC1C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260366 (CHEMBL4065391) Show SMILES CCCCCCCC1OC1C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of herpes simplex virus type 1 DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes a...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260366 (CHEMBL4065391) Show SMILES CCCCCCCC1OC1C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of human delta DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair