BDBM2333 2-(cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)methyl]-3,4-dihydropyrimidin-4-one::S-DABO::thio-DABO 2c::thio-DABO 5dd

SMILES: Fc1cccc(F)c1Cc1cc(=O)[nH]c(SC2CCCC2)n1

InChI Key: InChIKey=WMKOEFVRYISNHD-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 = 2333   

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)	BDBM2333 (2-(cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)met...) Show SMILES Fc1cccc(F)c1Cc1cc(=O)[nH]c(SC2CCCC2)n1 Show InChI InChI=1S/C16H16F2N2OS/c17-13-6-3-7-14(18)12(13)8-10-9-15(21)20-16(19-10)22-11-4-1-2-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,19,20,21)	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)	BDBM2333 (2-(cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)met...) Show SMILES Fc1cccc(F)c1Cc1cc(=O)[nH]c(SC2CCCC2)n1 Show InChI InChI=1S/C16H16F2N2OS/c17-13-6-3-7-14(18)12(13)8-10-9-15(21)20-16(19-10)22-11-4-1-2-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,19,20,21)	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)	BDBM2333 (2-(cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)met...) Show SMILES Fc1cccc(F)c1Cc1cc(=O)[nH]c(SC2CCCC2)n1 Show InChI InChI=1S/C16H16F2N2OS/c17-13-6-3-7-14(18)12(13)8-10-9-15(21)20-16(19-10)22-11-4-1-2-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,19,20,21)	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