Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50008190   

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)	BDBM50071364 (5-Ethyl-5H-4,5,6-triaza-dibenzo[a,d]cycloheptene |...) Show SMILES CCN1c2ncccc2C=Cc2cccnc12 |c:10| Show InChI InChI=1S/C14H13N3/c1-2-17-13-11(5-3-9-15-13)7-8-12-6-4-10-16-14(12)17/h3-10H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (P236L)				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50071365 (5-Cyclopropyl-5H-4,5,6-triaza-dibenzo[a,d]cyclohep...) Show SMILES C1CC1N1c2ncccc2C=Cc2cccnc12 |c:12| Show InChI InChI=1S/C15H13N3/c1-3-11-5-6-12-4-2-10-17-15(12)18(13-7-8-13)14(11)16-9-1/h1-6,9-10,13H,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (Y181C)				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50071365 (5-Cyclopropyl-5H-4,5,6-triaza-dibenzo[a,d]cyclohep...) Show SMILES C1CC1N1c2ncccc2C=Cc2cccnc12 |c:12| Show InChI InChI=1S/C15H13N3/c1-3-11-5-6-12-4-2-10-17-15(12)18(13-7-8-13)14(11)16-9-1/h1-6,9-10,13H,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 wild type reverse transcriptase				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50071364 (5-Ethyl-5H-4,5,6-triaza-dibenzo[a,d]cycloheptene |...) Show SMILES CCN1c2ncccc2C=Cc2cccnc12 |c:10| Show InChI InChI=1S/C14H13N3/c1-2-17-13-11(5-3-9-15-13)7-8-12-6-4-10-16-14(12)17/h3-10H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (K103N)				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					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	60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (P236L)				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50071365 (5-Cyclopropyl-5H-4,5,6-triaza-dibenzo[a,d]cyclohep...) Show SMILES C1CC1N1c2ncccc2C=Cc2cccnc12 |c:12| Show InChI InChI=1S/C15H13N3/c1-3-11-5-6-12-4-2-10-17-15(12)18(13-7-8-13)14(11)16-9-1/h1-6,9-10,13H,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (K103N)				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					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	170	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 wild type reverse transcriptase				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	180	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (K103N)				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50071364 (5-Ethyl-5H-4,5,6-triaza-dibenzo[a,d]cycloheptene |...) Show SMILES CCN1c2ncccc2C=Cc2cccnc12 |c:10| Show InChI InChI=1S/C14H13N3/c1-2-17-13-11(5-3-9-15-13)7-8-12-6-4-10-16-14(12)17/h3-10H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 wild type reverse transcriptase				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50071365 (5-Cyclopropyl-5H-4,5,6-triaza-dibenzo[a,d]cyclohep...) Show SMILES C1CC1N1c2ncccc2C=Cc2cccnc12 |c:12| Show InChI InChI=1S/C15H13N3/c1-3-11-5-6-12-4-2-10-17-15(12)18(13-7-8-13)14(11)16-9-1/h1-6,9-10,13H,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (L1001)				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50071365 (5-Cyclopropyl-5H-4,5,6-triaza-dibenzo[a,d]cyclohep...) Show SMILES C1CC1N1c2ncccc2C=Cc2cccnc12 |c:12| Show InChI InChI=1S/C15H13N3/c1-3-11-5-6-12-4-2-10-17-15(12)18(13-7-8-13)14(11)16-9-1/h1-6,9-10,13H,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (L1001)				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (Y181C)				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50071364 (5-Ethyl-5H-4,5,6-triaza-dibenzo[a,d]cycloheptene |...) Show SMILES CCN1c2ncccc2C=Cc2cccnc12 |c:10| Show InChI InChI=1S/C14H13N3/c1-2-17-13-11(5-3-9-15-13)7-8-12-6-4-10-16-14(12)17/h3-10H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (P236L)				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50071364 (5-Ethyl-5H-4,5,6-triaza-dibenzo[a,d]cycloheptene |...) Show SMILES CCN1c2ncccc2C=Cc2cccnc12 |c:10| Show InChI InChI=1S/C14H13N3/c1-2-17-13-11(5-3-9-15-13)7-8-12-6-4-10-16-14(12)17/h3-10H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (L1001)				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					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	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (Y181C)				Bioorg Med Chem Lett 8: 2169-72 (1999) BindingDB Entry DOI: 10.7270/Q2028QP0
					More data for this Ligand-Target Pair				3D Structure (crystal)