Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50467350'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467350 (CHEMBL4293640) Show SMILES Cc1cc(C)c(Nc2ccnc(Nc3ccc(Cl)cc3)n2)c(C)c1 Show InChI InChI=1S/C19H19ClN4/c1-12-10-13(2)18(14(3)11-12)23-17-8-9-21-19(24-17)22-16-6-4-15(20)5-7-16/h4-11H,1-3H3,(H2,21,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 3B reverse transcriptase				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467350 (CHEMBL4293640) Show SMILES Cc1cc(C)c(Nc2ccnc(Nc3ccc(Cl)cc3)n2)c(C)c1 Show InChI InChI=1S/C19H19ClN4/c1-12-10-13(2)18(14(3)11-12)23-17-8-9-21-19(24-17)22-16-6-4-15(20)5-7-16/h4-11H,1-3H3,(H2,21,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase K103N mutant				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467350 (CHEMBL4293640) Show SMILES Cc1cc(C)c(Nc2ccnc(Nc3ccc(Cl)cc3)n2)c(C)c1 Show InChI InChI=1S/C19H19ClN4/c1-12-10-13(2)18(14(3)11-12)23-17-8-9-21-19(24-17)22-16-6-4-15(20)5-7-16/h4-11H,1-3H3,(H2,21,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase Y181C mutant				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467350 (CHEMBL4293640) Show SMILES Cc1cc(C)c(Nc2ccnc(Nc3ccc(Cl)cc3)n2)c(C)c1 Show InChI InChI=1S/C19H19ClN4/c1-12-10-13(2)18(14(3)11-12)23-17-8-9-21-19(24-17)22-16-6-4-15(20)5-7-16/h4-11H,1-3H3,(H2,21,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase L100I mutant				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467350 (CHEMBL4293640) Show SMILES Cc1cc(C)c(Nc2ccnc(Nc3ccc(Cl)cc3)n2)c(C)c1 Show InChI InChI=1S/C19H19ClN4/c1-12-10-13(2)18(14(3)11-12)23-17-8-9-21-19(24-17)22-16-6-4-15(20)5-7-16/h4-11H,1-3H3,(H2,21,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase Y188L mutant				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467350 (CHEMBL4293640) Show SMILES Cc1cc(C)c(Nc2ccnc(Nc3ccc(Cl)cc3)n2)c(C)c1 Show InChI InChI=1S/C19H19ClN4/c1-12-10-13(2)18(14(3)11-12)23-17-8-9-21-19(24-17)22-16-6-4-15(20)5-7-16/h4-11H,1-3H3,(H2,21,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase L100I/K103N double mutant				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair