BDBM50010225 4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one::CHEMBL67675

SMILES: CC1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=O

InChI Key: InChIKey=FRCNLKVXRALXMC-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50010225   

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)	BDBM50010225 (4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-...) Show SMILES CC1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=O |(15.41,-3.95,;13.87,-3.97,;13.21,-2.59,;11.72,-2.25,;10.51,-3.21,;10.51,-4.75,;11.72,-5.7,;13.21,-5.37,;14.17,-6.59,;13.59,-8.01,;14.55,-9.23,;13.97,-10.67,;16.08,-9.02,;9.18,-5.52,;7.85,-4.75,;6.5,-5.54,;7.85,-3.21,;9.18,-2.44,;9.51,-.92,;11.16,-.8,;12.08,.46,)| Show InChI InChI=1S/C16H20ClN3O/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	7.60	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Human immunodeficiency virus 1 reverse transcriptase				Citation and Details Article DOI: 10.1007/s00044-011-9742-x BindingDB Entry DOI: 10.7270/Q2CV4MN4
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50010225 (4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-...) Show SMILES CC1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=O |(15.41,-3.95,;13.87,-3.97,;13.21,-2.59,;11.72,-2.25,;10.51,-3.21,;10.51,-4.75,;11.72,-5.7,;13.21,-5.37,;14.17,-6.59,;13.59,-8.01,;14.55,-9.23,;13.97,-10.67,;16.08,-9.02,;9.18,-5.52,;7.85,-4.75,;6.5,-5.54,;7.85,-3.21,;9.18,-2.44,;9.51,-.92,;11.16,-.8,;12.08,.46,)| Show InChI InChI=1S/C16H20ClN3O/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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