Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50467347'   

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)	BDBM50467347 (CHEMBL72335) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#N Show InChI InChI=1S/C20H15N5O/c1-13-9-16(12-22)10-14(2)19(13)26-18-7-8-23-20(25-18)24-17-5-3-15(11-21)4-6-17/h3-10H,1-2H3,(H,23,24,25)	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
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 LAI reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay				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)	BDBM50467347 (CHEMBL72335) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#N Show InChI InChI=1S/C20H15N5O/c1-13-9-16(12-22)10-14(2)19(13)26-18-7-8-23-20(25-18)24-17-5-3-15(11-21)4-6-17/h3-10H,1-2H3,(H,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by M...				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)	BDBM50467347 (CHEMBL72335) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#N Show InChI InChI=1S/C20H15N5O/c1-13-9-16(12-22)10-14(2)19(13)26-18-7-8-23-20(25-18)24-17-5-3-15(11-21)4-6-17/h3-10H,1-2H3,(H,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Competitive inhibition of C-Terminal histidine-tagged wild type heterodimeric HIV-1 reverse transcriptase p66/p51 assessed as inhibition of dGTP inco...				J Med Chem 56: 3959-68 (2013) Article DOI: 10.1021/jm400160s BindingDB Entry DOI: 10.7270/Q26Q2154
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467347 (CHEMBL72335) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#N Show InChI InChI=1S/C20H15N5O/c1-13-9-16(12-22)10-14(2)19(13)26-18-7-8-23-20(25-18)24-17-5-3-15(11-21)4-6-17/h3-10H,1-2H3,(H,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Competitive inhibition of C-Terminal histidine-tagged wild type heterodimeric HIV-1 reverse transcriptase p66/p51 assessed as inhibition of dTTP inco...				J Med Chem 56: 3959-68 (2013) Article DOI: 10.1021/jm400160s BindingDB Entry DOI: 10.7270/Q26Q2154
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467347 (CHEMBL72335) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#N Show InChI InChI=1S/C20H15N5O/c1-13-9-16(12-22)10-14(2)19(13)26-18-7-8-23-20(25-18)24-17-5-3-15(11-21)4-6-17/h3-10H,1-2H3,(H,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188L mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by M...				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)	BDBM50467347 (CHEMBL72335) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#N Show InChI InChI=1S/C20H15N5O/c1-13-9-16(12-22)10-14(2)19(13)26-18-7-8-23-20(25-18)24-17-5-3-15(11-21)4-6-17/h3-10H,1-2H3,(H,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by M...				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)	BDBM50467347 (CHEMBL72335) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#N Show InChI InChI=1S/C20H15N5O/c1-13-9-16(12-22)10-14(2)19(13)26-18-7-8-23-20(25-18)24-17-5-3-15(11-21)4-6-17/h3-10H,1-2H3,(H,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase L100I mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by M...				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)	BDBM50467347 (CHEMBL72335) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#N Show InChI InChI=1S/C20H15N5O/c1-13-9-16(12-22)10-14(2)19(13)26-18-7-8-23-20(25-18)24-17-5-3-15(11-21)4-6-17/h3-10H,1-2H3,(H,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y188C double mutant infected in human MT4 cells assessed as protection against virus-induced cytopathi...				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)	BDBM50467347 (CHEMBL72335) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#N Show InChI InChI=1S/C20H15N5O/c1-13-9-16(12-22)10-14(2)19(13)26-18-7-8-23-20(25-18)24-17-5-3-15(11-21)4-6-17/h3-10H,1-2H3,(H,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	798	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase L100I/K103N double mutant infected in human MT4 cells assessed as protection against virus-induced cytopathi...				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