Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50009018   

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)	BDBM50524502 (CHEMBL4561610) Show SMILES COc1cccc(NC2=Nc3ccc(Cl)cc3C(N2)(C#CC2CC2)C(F)(F)F)c1 |t:8| Show InChI InChI=1S/C21H17ClF3N3O/c1-29-16-4-2-3-15(12-16)26-19-27-18-8-7-14(22)11-17(18)20(28-19,21(23,24)25)10-9-13-5-6-13/h2-4,7-8,11-13H,5-6H2,1H3,(H2,26,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...				Eur J Med Chem 176: 11-20 (2019) Article DOI: 10.1016/j.ejmech.2019.05.011 BindingDB Entry DOI: 10.7270/Q2F47SJC
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...				Eur J Med Chem 176: 11-20 (2019) Article DOI: 10.1016/j.ejmech.2019.05.011 BindingDB Entry DOI: 10.7270/Q2F47SJC
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50524504 (CHEMBL4440982) Show SMILES FC(F)(F)C1(NC(Nc2ccccc2Br)=Nc2ccc(Cl)cc12)C#CC1CC1 |c:15| Show InChI InChI=1S/C20H14BrClF3N3/c21-15-3-1-2-4-17(15)27-18-26-16-8-7-13(22)11-14(16)19(28-18,20(23,24)25)10-9-12-5-6-12/h1-4,7-8,11-12H,5-6H2,(H2,26,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...				Eur J Med Chem 176: 11-20 (2019) Article DOI: 10.1016/j.ejmech.2019.05.011 BindingDB Entry DOI: 10.7270/Q2F47SJC
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50524503 (CHEMBL4555651) Show SMILES FC(F)(F)C1(NC(Nc2ccc(Cl)c(Cl)c2)=Nc2ccc(Cl)cc12)C#CC1CC1 |c:16| Show InChI InChI=1S/C20H13Cl3F3N3/c21-12-3-6-17-14(9-12)19(20(24,25)26,8-7-11-1-2-11)29-18(28-17)27-13-4-5-15(22)16(23)10-13/h3-6,9-11H,1-2H2,(H2,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...				Eur J Med Chem 176: 11-20 (2019) Article DOI: 10.1016/j.ejmech.2019.05.011 BindingDB Entry DOI: 10.7270/Q2F47SJC
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50524501 (CHEMBL4584006) Show SMILES FC(F)(F)c1cccc(NC2=Nc3ccc(Cl)cc3C(N2)(C#CC2CC2)C(F)(F)F)c1 |t:10| Show InChI InChI=1S/C21H14ClF6N3/c22-14-6-7-17-16(11-14)19(21(26,27)28,9-8-12-4-5-12)31-18(30-17)29-15-3-1-2-13(10-15)20(23,24)25/h1-3,6-7,10-12H,4-5H2,(H2,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...				Eur J Med Chem 176: 11-20 (2019) Article DOI: 10.1016/j.ejmech.2019.05.011 BindingDB Entry DOI: 10.7270/Q2F47SJC
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...				Eur J Med Chem 176: 11-20 (2019) Article DOI: 10.1016/j.ejmech.2019.05.011 BindingDB Entry DOI: 10.7270/Q2F47SJC
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50524500 (CHEMBL4475694) Show SMILES FC(F)(F)C1(NC(Nc2ccc(cc2)C#N)=Nc2ccc(Cl)cc12)C#CC1CC1 |c:16| Show InChI InChI=1S/C21H14ClF3N4/c22-15-5-8-18-17(11-15)20(21(23,24)25,10-9-13-1-2-13)29-19(28-18)27-16-6-3-14(12-26)4-7-16/h3-8,11,13H,1-2H2,(H2,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...				Eur J Med Chem 176: 11-20 (2019) Article DOI: 10.1016/j.ejmech.2019.05.011 BindingDB Entry DOI: 10.7270/Q2F47SJC
					More data for this Ligand-Target Pair