BDBM50483690 CHEMBL1766220

SMILES: Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCN1CCOCC1

InChI Key: InChIKey=MRLOZCSRZCFVID-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50483690   

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)	BDBM50483690 (CHEMBL1766220) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCN1CCOCC1 Show InChI InChI=1S/C22H23ClFN3O4S/c1-13-9-14(2)11-15(10-13)32(29,30)21-18-17(4-3-16(23)19(18)24)26-20(21)22(28)25-12-27-5-7-31-8-6-27/h3-4,9-11,26H,5-8,12H2,1-2H3,(H,25,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild type reverse transcriptase expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by sci...				J Med Chem 54: 1587-98 (2011) Article DOI: 10.1021/jm101614j BindingDB Entry DOI: 10.7270/Q2ZG6W3H
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50483690 (CHEMBL1766220) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCN1CCOCC1 Show InChI InChI=1S/C22H23ClFN3O4S/c1-13-9-14(2)11-15(10-13)32(29,30)21-18-17(4-3-16(23)19(18)24)26-20(21)22(28)25-12-27-5-7-31-8-6-27/h3-4,9-11,26H,5-8,12H2,1-2H3,(H,25,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by ...				J Med Chem 54: 1587-98 (2011) Article DOI: 10.1021/jm101614j BindingDB Entry DOI: 10.7270/Q2ZG6W3H
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50483690 (CHEMBL1766220) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCN1CCOCC1 Show InChI InChI=1S/C22H23ClFN3O4S/c1-13-9-14(2)11-15(10-13)32(29,30)21-18-17(4-3-16(23)19(18)24)26-20(21)22(28)25-12-27-5-7-31-8-6-27/h3-4,9-11,26H,5-8,12H2,1-2H3,(H,25,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181I mutant expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by ...				J Med Chem 54: 1587-98 (2011) Article DOI: 10.1021/jm101614j BindingDB Entry DOI: 10.7270/Q2ZG6W3H
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50483690 (CHEMBL1766220) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCN1CCOCC1 Show InChI InChI=1S/C22H23ClFN3O4S/c1-13-9-14(2)11-15(10-13)32(29,30)21-18-17(4-3-16(23)19(18)24)26-20(21)22(28)25-12-27-5-7-31-8-6-27/h3-4,9-11,26H,5-8,12H2,1-2H3,(H,25,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase L100I mutant expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by ...				J Med Chem 54: 1587-98 (2011) Article DOI: 10.1021/jm101614j BindingDB Entry DOI: 10.7270/Q2ZG6W3H
					More data for this Ligand-Target Pair