BDBM2469 9-(prop-2-en-1-yl)-2-thia-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),4,6,11,13-pentaene-2,2,8-trione::Pyrrolobenzothiadiazepine (PBTD) 10h

SMILES: C=CCN1c2ccccc2S(=O)(=O)n2cccc2C1=O

InChI Key: InChIKey=WVBYTKNDXADPLH-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 = 2469   

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)	BDBM2469 (9-(prop-2-en-1-yl)-2-thia-3,9-diazatricyclo[8.4.0....) Show SMILES C=CCN1c2ccccc2S(=O)(=O)n2cccc2C1=O Show InChI InChI=1S/C14H12N2O3S/c1-2-9-15-11-6-3-4-8-13(11)20(18,19)16-10-5-7-12(16)14(15)17/h2-8,10H,1,9H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	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
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM2469 (9-(prop-2-en-1-yl)-2-thia-3,9-diazatricyclo[8.4.0....) Show SMILES C=CCN1c2ccccc2S(=O)(=O)n2cccc2C1=O Show InChI InChI=1S/C14H12N2O3S/c1-2-9-15-11-6-3-4-8-13(11)20(18,19)16-10-5-7-12(16)14(15)17/h2-8,10H,1,9H2	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	7.8	37
Universita di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 4: 837-50 (1996) Article DOI: 10.1016/0968-0896(96)00075-2 BindingDB Entry DOI: 10.7270/Q2GF0RQZ
					More data for this Ligand-Target Pair