Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50009232   

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/RNaseH (Human immunodeficiency virus 1)	BDBM50081457 (1-(5-Bromo-pyridin-2-yl)-3-(2-cyclohex-1-enyl-ethy...) Show SMILES Brc1ccc(NC(=S)NCCC2=CCCCC2)nc1 |t:11| Show InChI InChI=1S/C14H18BrN3S/c15-12-6-7-13(17-10-12)18-14(19)16-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 reverse transcriptase (rRT)				Bioorg Med Chem Lett 9: 2721-6 (1999) BindingDB Entry DOI: 10.7270/Q2D50M49
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50081459 (1-(5-Chloro-pyridin-2-yl)-3-(2-cyclohex-1-enyl-eth...) Show SMILES Clc1ccc(NC(=S)NCCC2=CCCCC2)nc1 |t:11| Show InChI InChI=1S/C14H18ClN3S/c15-12-6-7-13(17-10-12)18-14(19)16-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 reverse transcriptase (rRT)				Bioorg Med Chem Lett 9: 2721-6 (1999) BindingDB Entry DOI: 10.7270/Q2D50M49
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2337 (6-benzyl-1-(ethoxymethyl)-5-(propan-2-yl)-1,2,3,4-...) Show SMILES CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O Show InChI InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 reverse transcriptase (rRT)				Bioorg Med Chem Lett 9: 2721-6 (1999) BindingDB Entry DOI: 10.7270/Q2D50M49
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 reverse transcriptase (rRT)				Bioorg Med Chem Lett 9: 2721-6 (1999) BindingDB Entry DOI: 10.7270/Q2D50M49
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1944 (BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 reverse transcriptase (rRT)				Bioorg Med Chem Lett 9: 2721-6 (1999) BindingDB Entry DOI: 10.7270/Q2D50M49
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50081458 (1-(2-Cyclohex-1-enyl-ethyl)-3-(5-trifluoromethyl-p...) Show SMILES FC(F)(F)c1ccc(NC(=S)NCCC2=CCCCC2)nc1 |t:14| Show InChI InChI=1S/C15H18F3N3S/c16-15(17,18)12-6-7-13(20-10-12)21-14(22)19-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9H2,(H2,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 reverse transcriptase (rRT)				Bioorg Med Chem Lett 9: 2721-6 (1999) BindingDB Entry DOI: 10.7270/Q2D50M49
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 reverse transcriptase (rRT)				Bioorg Med Chem Lett 9: 2721-6 (1999) BindingDB Entry DOI: 10.7270/Q2D50M49
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50081460 (1-(5-Bromo-pyridin-2-yl)-3-(6,6-dimethyl-bicyclo[3...) Show SMILES CC1(C)C2CC1CC(CNC(=S)Nc1ccc(Br)cn1)C2 Show InChI InChI=1S/C16H22BrN3S/c1-16(2)11-5-10(6-12(16)7-11)8-19-15(21)20-14-4-3-13(17)9-18-14/h3-4,9-12H,5-8H2,1-2H3,(H2,18,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 reverse transcriptase (rRT)				Bioorg Med Chem Lett 9: 2721-6 (1999) BindingDB Entry DOI: 10.7270/Q2D50M49
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50081461 (1-Adamantan-1-ylmethyl-3-(5-bromo-pyridin-2-yl)-th...) Show SMILES Brc1ccc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)nc1 |TLB:13:14:18:12.11.17,17:12:19:16.18.15,17:16:19:12.11.13,THB:13:12:18:14.19.15| Show InChI InChI=1S/C17H22BrN3S/c18-14-1-2-15(19-9-14)21-16(22)20-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13H,3-8,10H2,(H2,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 reverse transcriptase (rRT)				Bioorg Med Chem Lett 9: 2721-6 (1999) BindingDB Entry DOI: 10.7270/Q2D50M49
					More data for this Ligand-Target Pair