BDBM2336 2-(cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one::S-DABO::thio-DABO 2f::thio-DABO 5rr

SMILES: Cc1c(Cc2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O

InChI Key: InChIKey=JDNVZVKHBJZAPU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 2336   

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
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM2336 (2-(cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)met...) Show SMILES Cc1c(Cc2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O Show InChI InChI=1S/C17H18F2N2OS/c1-10-15(9-12-13(18)7-4-8-14(12)19)20-17(21-16(10)22)23-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,20,21,22)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi 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.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM2336 (2-(cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)met...) Show SMILES Cc1c(Cc2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O Show InChI InChI=1S/C17H18F2N2OS/c1-10-15(9-12-13(18)7-4-8-14(12)19)20-17(21-16(10)22)23-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description Inhibitory concentration required to inhibit the HIV-1 reverse transcriptase activity				J Med Chem 47: 928-34 (2004) Article DOI: 10.1021/jm0309856 BindingDB Entry DOI: 10.7270/Q26W988R
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM2336 (2-(cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)met...) Show SMILES Cc1c(Cc2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O Show InChI InChI=1S/C17H18F2N2OS/c1-10-15(9-12-13(18)7-4-8-14(12)19)20-17(21-16(10)22)23-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,20,21,22)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi 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.				J Med Chem 42: 619-27 (1999) Article DOI: 10.1021/jm980260f BindingDB Entry DOI: 10.7270/Q2445JPQ
					More data for this Ligand-Target Pair