BDBM50010237 8-Methyl-7-propyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one::CHEMBL66377

SMILES: CCCN1Cc2cccc3[nH]c(=O)n(CC1C)c23

InChI Key: InChIKey=RMWFDGMVDKRISB-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 = 50010237   

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)	BDBM50010237 (8-Methyl-7-propyl-6,7,8,9-tetrahydro-2H-2,7,9a-tri...) Show SMILES CCCN1Cc2cccc3[nH]c(=O)n(CC1C)c23 Show InChI InChI=1S/C14H19N3O/c1-3-7-16-9-11-5-4-6-12-13(11)17(8-10(16)2)14(18)15-12/h4-6,10H,3,7-9H2,1-2H3,(H,15,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Eur J Med Chem 44: 1509-24 (2009) Article DOI: 10.1016/j.ejmech.2008.07.020 BindingDB Entry DOI: 10.7270/Q29889TP
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50010237 (8-Methyl-7-propyl-6,7,8,9-tetrahydro-2H-2,7,9a-tri...) Show SMILES CCCN1Cc2cccc3[nH]c(=O)n(CC1C)c23 Show InChI InChI=1S/C14H19N3O/c1-3-7-16-9-11-5-4-6-12-13(11)17(8-10(16)2)14(18)15-12/h4-6,10H,3,7-9H2,1-2H3,(H,15,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
IBM Thomas J. Watson Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 replication by interfering with virus reverse transcriptase				J Med Chem 39: 2129-40 (1996) Article DOI: 10.1021/jm950589q BindingDB Entry DOI: 10.7270/Q2697471
					More data for this Ligand-Target Pair