BDBM50483687 CHEMBL1766231

SMILES: Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCCN1CCOCC1

InChI Key: InChIKey=IRKMFAYFJNDDOZ-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 = 50483687   

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)	BDBM50483687 (CHEMBL1766231) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H26N4O6S/c1-15-11-16(2)13-18(12-15)34(31,32)22-19-14-17(27(29)30)3-4-20(19)25-21(22)23(28)24-5-6-26-7-9-33-10-8-26/h3-4,11-14,25H,5-10H2,1-2H3,(H,24,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	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)	BDBM50483687 (CHEMBL1766231) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H26N4O6S/c1-15-11-16(2)13-18(12-15)34(31,32)22-19-14-17(27(29)30)3-4-20(19)25-21(22)23(28)24-5-6-26-7-9-33-10-8-26/h3-4,11-14,25H,5-10H2,1-2H3,(H,24,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+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 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)	BDBM50483687 (CHEMBL1766231) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H26N4O6S/c1-15-11-16(2)13-18(12-15)34(31,32)22-19-14-17(27(29)30)3-4-20(19)25-21(22)23(28)24-5-6-26-7-9-33-10-8-26/h3-4,11-14,25H,5-10H2,1-2H3,(H,24,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+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)	BDBM50483687 (CHEMBL1766231) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H26N4O6S/c1-15-11-16(2)13-18(12-15)34(31,32)22-19-14-17(27(29)30)3-4-20(19)25-21(22)23(28)24-5-6-26-7-9-33-10-8-26/h3-4,11-14,25H,5-10H2,1-2H3,(H,24,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	421	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