BDBM50480366 CHEMBL513819

SMILES: COc1c(C(=O)C2=CN3C(Nc4ccccc34)=CN=C2)c(O)cc2occc12

InChI Key: InChIKey=NRRQBOVJBZXBKH-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50480366   

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
Stromelysin-3 (Mus musculus)	BDBM50480366 (CHEMBL513819) Show SMILES COc1c(C(=O)C2=CN3C(Nc4ccccc34)=CN=C2)c(O)cc2occc12 |c:18,20,t:6| Show InChI InChI=1S/C21H15N3O4/c1-27-21-13-6-7-28-17(13)8-16(25)19(21)20(26)12-9-22-10-18-23-14-4-2-3-5-15(14)24(18)11-12/h2-11,23,25H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
National Research Centre Curated by ChEMBL					Assay Description Cytotoxicity against human NB-1 cells by MTT assay				Bioorg Med Chem Lett 19: 2420-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.069 BindingDB Entry DOI: 10.7270/Q2W098R8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50480366 (CHEMBL513819) Show SMILES COc1c(C(=O)C2=CN3C(Nc4ccccc34)=CN=C2)c(O)cc2occc12 |c:18,20,t:6| Show InChI InChI=1S/C21H15N3O4/c1-27-21-13-6-7-28-17(13)8-16(25)19(21)20(26)12-9-22-10-18-23-14-4-2-3-5-15(14)24(18)11-12/h2-11,23,25H,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase in cell free Quan-T-RT by scintillation proximity assay				Bioorg Med Chem Lett 19: 2420-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.069 BindingDB Entry DOI: 10.7270/Q2W098R8
					More data for this Ligand-Target Pair