BDBM50052043 5-Ethyl-5-phenyl-6-thia-10b-aza-benzo[e]azulen-4-one::CHEMBL313804

SMILES: CCC1(Sc2ccccc2-n2cccc2C1=O)c1ccccc1

InChI Key: InChIKey=RRYRKNNNMOVSRI-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 = 50052043   

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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50052043 (5-Ethyl-5-phenyl-6-thia-10b-aza-benzo[e]azulen-4-o...) Show SMILES CCC1(Sc2ccccc2-n2cccc2C1=O)c1ccccc1 Show InChI InChI=1S/C20H17NOS/c1-2-20(15-9-4-3-5-10-15)19(22)17-12-8-14-21(17)16-11-6-7-13-18(16)23-20/h3-14H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR & Palack£ University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 23: 5247-63 (2015) Article DOI: 10.1016/j.bmc.2015.06.016 BindingDB Entry DOI: 10.7270/Q20P131K
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50052043 (5-Ethyl-5-phenyl-6-thia-10b-aza-benzo[e]azulen-4-o...) Show SMILES CCC1(Sc2ccccc2-n2cccc2C1=O)c1ccccc1 Show InChI InChI=1S/C20H17NOS/c1-2-20(15-9-4-3-5-10-15)19(22)17-12-8-14-21(17)16-11-6-7-13-18(16)23-20/h3-14H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Compound was tested for Inhibition of HIV-1 RT activity.				J Med Chem 39: 2672-80 (1996) Article DOI: 10.1021/jm950702c BindingDB Entry DOI: 10.7270/Q21R6PM4
					More data for this Ligand-Target Pair