Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50011685   

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)	BDBM50550025 (CHEMBL1923490) Show SMILES Clc1ccc(Oc2cc(Cl)cc(\C=C\C#N)c2)c(OCCn2ccc(=O)[nH]c2=O)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated for 1 hr followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550017 (CHEMBL4751058) Show SMILES FS(=O)(=O)Oc1ccc(Oc2cc(Cl)cc3cc(ccc23)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM222178 (Rilpivirine) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550020 (CHEMBL4777184) Show SMILES FS(=O)(=O)Oc1ccc(Oc2cc(Cl)cn3cc(cc23)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550019 (CHEMBL4797750) Show SMILES Fc1cc(Oc2ccc(OS(F)(=O)=O)cc2OCCn2ccc(=O)[nH]c2=O)c2cc(cn2c1)C#N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550016 (CHEMBL4797524) Show SMILES FS(=O)(=O)Oc1ccc(Oc2cccc3cc(ccc23)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550014 (CHEMBL4749553) Show SMILES FS(=O)(=O)Oc1ccc(Oc2cc(Cl)cc(c2)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550022 (CHEMBL4777651) Show SMILES FS(=O)(=O)Oc1ccc(Oc2cc(Cl)cc(\C=C\C#N)c2)c(OCCn2ccc(=O)[nH]c2=O)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550021 (CHEMBL4781540) Show SMILES Fc1cc(Oc2ccc(OS(F)(=O)=O)cc2OCCn2ccc(=O)[nH]c2=O)cc(\C=C\C#N)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550014 (CHEMBL4749553) Show SMILES FS(=O)(=O)Oc1ccc(Oc2cc(Cl)cc(c2)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550018 (CHEMBL4782907) Show SMILES Cn1c(=O)ccn(CCOc2cc(OS(F)(=O)=O)ccc2Oc2cccn3cc(cc23)C#N)c1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550015 (CHEMBL4745792) Show SMILES Cn1c(=O)ccn(CCOc2cc(OS(F)(=O)=O)ccc2Oc2cc(Cl)cc(c2)C#N)c1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550024 (CHEMBL4799666) Show SMILES Cn1c(=O)ccn(CCOc2cc(ccc2Oc2cc(Cl)cc(c2)C#N)S(F)(=O)=O)c1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550019 (CHEMBL4797750) Show SMILES Fc1cc(Oc2ccc(OS(F)(=O)=O)cc2OCCn2ccc(=O)[nH]c2=O)c2cc(cn2c1)C#N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	429	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550013 (CHEMBL4752795) Show SMILES FS(=O)(=O)Oc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	833	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					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 Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550018 (CHEMBL4782907) Show SMILES Cn1c(=O)ccn(CCOc2cc(OS(F)(=O)=O)ccc2Oc2cccn3cc(cc23)C#N)c1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550012 (CHEMBL4787593) Show SMILES FS(=O)(=O)Oc1ccc(Oc2cc(Cl)cc(c2)C#N)c(Cl)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50550023 (CHEMBL4748836) Show SMILES FS(=O)(=O)c1ccc(Oc2cc(Cl)cc(c2)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00612 BindingDB Entry DOI: 10.7270/Q2ZC86HB
					More data for this Ligand-Target Pair