Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50004951   

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)	BDBM1568 (5,11-dihydro-11-ethyl-5-methyl-2-(3-aminophenyl)-6...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccc(N)c1 Show InChI InChI=1S/C20H19N5O/c1-3-25-18-15(8-5-11-22-18)20(26)24(2)17-10-9-16(23-19(17)25)13-6-4-7-14(21)12-13/h4-12H,3,21H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					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	84	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1530 (5-chloro-2-cyclopropyl-9-methyl-2,4,9,15-tetraazat...) Show SMILES CN1c2ccc(Cl)nc2N(C2CC2)c2ncccc2C1=O Show InChI InChI=1S/C15H13ClN4O/c1-19-11-6-7-12(16)18-14(11)20(9-4-5-9)13-10(15(19)21)3-2-8-17-13/h2-3,6-9H,4-5H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1518 (2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(6-4-8-15-12)14(19)17(2)11-7-5-9-16-13(11)18/h4-9H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2064 (13-amino-2-ethyl-9-methyl-2,4,9,15-tetraazatricycl...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(N)cnc12 Show InChI InChI=1S/C14H15N5O/c1-3-19-12-10(7-9(15)8-17-12)14(20)18(2)11-5-4-6-16-13(11)19/h4-8H,3,15H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407743 (CHEMBL2114381) Show SMILES CCN1c2cc(C)c(C)nc2N(C)C(=O)c2cc(N)cnc12 Show InChI InChI=1S/C16H19N5O/c1-5-21-13-6-9(2)10(3)19-15(13)20(4)16(22)12-7-11(17)8-18-14(12)21/h6-8H,5,17H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407744 (CHEMBL2115336) Show SMILES CCN1c2cc(C)c(C)nc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C16H18N4O/c1-5-20-13-9-10(2)11(3)18-15(13)19(4)16(21)12-7-6-8-17-14(12)20/h6-9H,5H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1669 (2-ethyl-5,6,9-trimethyl-2,4,9,15-tetraazatricyclo[...) Show SMILES CCN1c2nc(C)c(C)cc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C16H18N4O/c1-5-20-14-12(7-6-8-17-14)16(21)19(4)13-9-10(2)11(3)18-15(13)20/h6-9H,5H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407746 (CHEMBL2115325) Show SMILES CCN1c2cccnc2N(C)C(=O)c2cc(N)cnc12 Show InChI InChI=1S/C14H15N5O/c1-3-19-11-5-4-6-16-13(11)18(2)14(20)10-7-9(15)8-17-12(10)19/h4-8H,3,15H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407738 (CHEMBL2115328) Show SMILES CN1c2cc(Cl)cnc2N(C2CC2)c2ncccc2C1=O Show InChI InChI=1S/C15H13ClN4O/c1-19-12-7-9(16)8-18-14(12)20(10-4-5-10)13-11(15(19)21)3-2-6-17-13/h2-3,6-8,10H,4-5H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407745 (CHEMBL2115335) Show SMILES CCN1c2cc(Br)cnc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C14H13BrN4O/c1-3-19-11-7-9(15)8-17-13(11)18(2)14(20)10-5-4-6-16-12(10)19/h4-8H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1663 (2-ethyl-6,9-dimethyl-2,4,9,15-tetraazatricyclo[9.4...) Show SMILES CCN1c2ncc(C)cc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C15H16N4O/c1-4-19-13-11(6-5-7-16-13)15(20)18(3)12-8-10(2)9-17-14(12)19/h5-9H,4H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407740 (CHEMBL2115334) Show SMILES CN1c2ncc(Cl)cc2N(C2CC2)c2ncccc2C1=O Show InChI InChI=1S/C15H13ClN4O/c1-19-14-12(7-9(16)8-18-14)20(10-4-5-10)13-11(15(19)21)3-2-6-17-13/h2-3,6-8,10H,4-5H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407741 (CHEMBL2115323) Show SMILES CN1c2nc(Cl)ccc2N(C2CC2)c2ncccc2C1=O Show InChI InChI=1S/C15H13ClN4O/c1-19-14-11(6-7-12(16)18-14)20(9-4-5-9)13-10(15(19)21)3-2-8-17-13/h2-3,6-9H,4-5H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407747 (CHEMBL305041) Show SMILES CCN1c2ncccc2N(C)C(=O)c2ccc(C)nc12 Show InChI InChI=1S/C15H16N4O/c1-4-19-13-11(8-7-10(2)17-13)15(20)18(3)12-6-5-9-16-14(12)19/h5-9H,4H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407739 (CHEMBL2115326) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(Br)cnc12 Show InChI InChI=1S/C14H13BrN4O/c1-3-19-12-10(7-9(15)8-17-12)14(20)18(2)11-5-4-6-16-13(11)19/h4-8H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50285359 (5-Ethyl-11-methyl-5,11-dihydro-1,5,6,11-tetraaza-d...) Show SMILES CCN1c2cccnc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C14H14N4O/c1-3-18-11-7-5-9-16-13(11)17(2)14(19)10-6-4-8-15-12(10)18/h4-9H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407742 (CHEMBL2115322) Show SMILES CCN1c2ccc(C)nc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C15H16N4O/c1-4-19-12-8-7-10(2)17-14(12)18(3)15(20)11-6-5-9-16-13(11)19/h5-9H,4H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair