Compile Data Set for Download or QSAR

Found 508 hits with Last Name = 'brickwood' and Initial = 'j'   

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)	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
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM2054 (2,8-disubstituted dipyridodiazepinone 37 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccccc3)cnc12 Show InChI InChI=1S/C21H19ClN4OS/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					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	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
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A] (Human immunodeficiency virus type 1)	BDBM2104 (13-[2-(3-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12 Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-9-10-19(23)26-21(18)28)12-15(13-25-20)8-7-14-5-4-6-16(24)11-14/h4-6,9-13H,3,7-8,24H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,K702N]/[600-1155,K702N] (Human immunodeficiency virus type 1)	BDBM2113 (13-[2-(2-aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(N)c3)cnc12 Show InChI InChI=1S/C21H21ClN6O/c1-3-28-19-15(21(29)27(2)16-6-7-17(22)26-20(16)28)10-14(12-25-19)5-4-13-8-9-24-18(23)11-13/h6-12H,3-5H2,1-2H3,(H2,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,K702N]/[600-1155,K702N] (Human immunodeficiency virus type 1)	BDBM2104 (13-[2-(3-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12 Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-9-10-19(23)26-21(18)28)12-15(13-25-20)8-7-14-5-4-6-16(24)11-14/h4-6,9-13H,3,7-8,24H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2058 (2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccncc3)cnc12 Show InChI InChI=1S/C20H18ClN5OS/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2044 (2,8-disubstituted dipyridodiazepinone 27 | 2-ethyl...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12 Show InChI InChI=1S/C20H19N5O2/c1-3-25-18-16(20(26)24(2)17-5-4-8-22-19(17)25)11-14(12-23-18)13-27-15-6-9-21-10-7-15/h4-12H,3,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.8	22
Pfizer Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 51: 3804-13 (2008) Article DOI: 10.1021/jm7015057 BindingDB Entry DOI: 10.7270/Q2DN437S
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2054 (2,8-disubstituted dipyridodiazepinone 37 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccccc3)cnc12 Show InChI InChI=1S/C21H19ClN4OS/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2058 (2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccncc3)cnc12 Show InChI InChI=1S/C20H18ClN5OS/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2099 (2,8-Substituted Dipyridodiazepinone 42 | 2-ethyl-5...) Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(CCc3ccc4ccccc4c3)cnc12 Show InChI InChI=1S/C26H23FN4O/c1-3-31-24-21(26(32)30(2)22-12-13-23(27)29-25(22)31)15-18(16-28-24)9-8-17-10-11-19-6-4-5-7-20(19)14-17/h4-7,10-16H,3,8-9H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2113 (13-[2-(2-aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(N)c3)cnc12 Show InChI InChI=1S/C21H21ClN6O/c1-3-28-19-15(21(29)27(2)16-6-7-17(22)26-20(16)28)10-14(12-25-19)5-4-13-8-9-24-18(23)11-13/h6-12H,3-5H2,1-2H3,(H2,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,K702N]/[600-1155,K702N] (Human immunodeficiency virus type 1)	BDBM2096 (2,8-Substituted Dipyridodiazepinone 39 | 2-ethyl-5...) Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12 Show InChI InChI=1S/C21H20FN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					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)	BDBM2050 (2,8-disubstituted dipyridodiazepinone 33 | 4-({2-e...) Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])cc3)cnc12 Show InChI InChI=1S/C20H18FN5O3/c1-3-26-18-15(20(27)24(2)16-4-5-17(21)23-19(16)26)10-13(11-22-18)12-29-14-6-8-25(28)9-7-14/h4-11H,3,12H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2047 (2,8-disubstituted dipyridodiazepinone 30 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(C)c3)cnc12 Show InChI InChI=1S/C21H20ClN5O2/c1-4-27-19-16(21(28)26(3)17-5-6-18(22)25-20(17)27)10-14(11-24-19)12-29-15-7-8-23-13(2)9-15/h5-11H,4,12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.8	22
Pfizer Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 51: 3804-13 (2008) Article DOI: 10.1021/jm7015057 BindingDB Entry DOI: 10.7270/Q2DN437S
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM2047 (2,8-disubstituted dipyridodiazepinone 30 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(C)c3)cnc12 Show InChI InChI=1S/C21H20ClN5O2/c1-4-27-19-16(21(28)26(3)17-5-6-18(22)25-20(17)27)10-14(11-24-19)12-29-15-7-8-23-13(2)9-15/h5-11H,4,12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.8	22
Pfizer Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 51: 3804-13 (2008) Article DOI: 10.1021/jm7015057 BindingDB Entry DOI: 10.7270/Q2DN437S
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2050 (2,8-disubstituted dipyridodiazepinone 33 | 4-({2-e...) Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])cc3)cnc12 Show InChI InChI=1S/C20H18FN5O3/c1-3-26-18-15(20(27)24(2)16-4-5-17(21)23-19(16)26)10-13(11-22-18)12-29-14-6-8-25(28)9-7-14/h4-11H,3,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L] (Human immunodeficiency virus type 1)	BDBM2054 (2,8-disubstituted dipyridodiazepinone 37 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccccc3)cnc12 Show InChI InChI=1S/C21H19ClN4OS/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A] (Human immunodeficiency virus type 1)	BDBM2113 (13-[2-(2-aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(N)c3)cnc12 Show InChI InChI=1S/C21H21ClN6O/c1-3-28-19-15(21(29)27(2)16-6-7-17(22)26-20(16)28)10-14(12-25-19)5-4-13-8-9-24-18(23)11-13/h6-12H,3-5H2,1-2H3,(H2,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2081 (2-ethyl-9-methyl-13-[2-(pyridin-3-yl)ethyl]-2,4,9,...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccnc3)cnc12 Show InChI InChI=1S/C21H21N5O/c1-3-26-19-17(21(27)25(2)18-7-5-11-23-20(18)26)12-16(14-24-19)9-8-15-6-4-10-22-13-15/h4-7,10-14H,3,8-9H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2088 (2-ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccnc(C)c3)cnc12 Show InChI InChI=1S/C22H23N5O/c1-4-27-20-18(22(28)26(3)19-6-5-10-24-21(19)27)13-17(14-25-20)8-7-16-9-11-23-15(2)12-16/h5-6,9-14H,4,7-8H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM2099 (2,8-Substituted Dipyridodiazepinone 42 | 2-ethyl-5...) Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(CCc3ccc4ccccc4c3)cnc12 Show InChI InChI=1S/C26H23FN4O/c1-3-31-24-21(26(32)30(2)22-12-13-23(27)29-25(22)31)15-18(16-28-24)9-8-17-10-11-19-6-4-5-7-20(19)14-17/h4-7,10-16H,3,8-9H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A] (Human immunodeficiency virus type 1)	BDBM2021 (2,8-Disubstituted Dipyridodiazepinone 37 | 2,8-Sub...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12 Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2057 (2,8-disubstituted dipyridodiazepinone 40 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ncccn3)cnc12 Show InChI InChI=1S/C19H17ClN6OS/c1-3-26-16-13(18(27)25(2)14-5-6-15(20)24-17(14)26)9-12(10-23-16)11-28-19-21-7-4-8-22-19/h4-10H,3,11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					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)	BDBM2048 (2,8-disubstituted dipyridodiazepinone 31 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(c3)C(F)(F)F)cnc12 Show InChI InChI=1S/C21H17ClF3N5O2/c1-3-30-18-14(20(31)29(2)15-4-5-17(22)28-19(15)30)8-12(10-27-18)11-32-13-6-7-26-16(9-13)21(23,24)25/h4-10H,3,11H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2036 (2,8-disubstituted dipyridodiazepinone 18 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(O)=O)cnc12 Show InChI InChI=1S/C22H19ClN4O4/c1-3-27-19-16(21(28)26(2)17-7-8-18(23)25-20(17)27)9-13(11-24-19)12-31-15-6-4-5-14(10-15)22(29)30/h4-11H,3,12H2,1-2H3,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase, V106A				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,P835L]/[600-1155,P835L] (Human immunodeficiency virus type 1)	BDBM2104 (13-[2-(3-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12 Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-9-10-19(23)26-21(18)28)12-15(13-25-20)8-7-14-5-4-6-16(24)11-14/h4-6,9-13H,3,7-8,24H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2048 (2,8-disubstituted dipyridodiazepinone 31 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(c3)C(F)(F)F)cnc12 Show InChI InChI=1S/C21H17ClF3N5O2/c1-3-30-18-14(20(31)29(2)15-4-5-17(22)28-19(15)30)8-12(10-27-18)11-32-13-6-7-26-16(9-13)21(23,24)25/h4-10H,3,11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2091 (13-[2-(3-aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12 Show InChI InChI=1S/C22H23N5O/c1-3-27-20-18(22(28)26(2)19-8-5-11-24-21(19)27)13-16(14-25-20)10-9-15-6-4-7-17(23)12-15/h4-8,11-14H,3,9-10,23H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2084 (2-ethyl-9-methyl-13-[2-(1,3-thiazol-2-yl)ethyl]-2,...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3nccs3)cnc12 Show InChI InChI=1S/C19H19N5OS/c1-3-24-17-14(19(25)23(2)15-5-4-8-21-18(15)24)11-13(12-22-17)6-7-16-20-9-10-26-16/h4-5,8-12H,3,6-7H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50302163 (3-amino-6-(4-aminopiperidin-1-yl)-4-propylthieno[2...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(N)CC1 Show InChI InChI=1S/C16H23N5OS/c1-2-3-9-8-11(21-6-4-10(17)5-7-21)20-16-12(9)13(18)14(23-16)15(19)22/h8,10H,2-7,17-18H2,1H3,(H2,19,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50302174 (3-amino-6-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-4...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(O)C(C)(C)C1 Show InChI InChI=1S/C18H26N4O2S/c1-4-5-10-8-12(22-7-6-11(23)18(2,3)9-22)21-17-13(10)14(19)15(25-17)16(20)24/h8,11,23H,4-7,9,19H2,1-3H3,(H2,20,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2022 (2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12 Show InChI InChI=1S/C22H21ClN4O/c1-3-27-20-17(22(28)26(2)18-11-12-19(23)25-21(18)27)13-16(14-24-20)10-9-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2038 (13-(3-aminophenoxymethyl)-5-chloro-2-ethyl-9-methy...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(N)c3)cnc12 Show InChI InChI=1S/C21H20ClN5O2/c1-3-27-19-16(21(28)26(2)17-7-8-18(22)25-20(17)27)9-13(11-24-19)12-29-15-6-4-5-14(23)10-15/h4-11H,3,12,23H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	22
Pfizer Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 51: 3804-13 (2008) Article DOI: 10.1021/jm7015057 BindingDB Entry DOI: 10.7270/Q2DN437S
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2045 (2,8-disubstituted dipyridodiazepinone 28 | 2-ethyl...) Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12 Show InChI InChI=1S/C20H18FN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	22
Pfizer Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 51: 3804-13 (2008) Article DOI: 10.1021/jm7015057 BindingDB Entry DOI: 10.7270/Q2DN437S
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM2058 (2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccncc3)cnc12 Show InChI InChI=1S/C20H18ClN5OS/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2067 (2-ethyl-13-(hydroxymethyl)-9-methyl-2,4,9,15-tetra...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CO)cnc12 Show InChI InChI=1S/C15H16N4O2/c1-3-19-13-11(7-10(9-20)8-17-13)15(21)18(2)12-5-4-6-16-14(12)19/h4-8,20H,3,9H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,P835L]/[600-1155,P835L] (Human immunodeficiency virus type 1)	BDBM2096 (2,8-Substituted Dipyridodiazepinone 39 | 2-ethyl-5...) Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12 Show InChI InChI=1S/C21H20FN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2080 (2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12 Show InChI InChI=1S/C21H21N5O/c1-3-26-19-17(21(27)25(2)18-5-4-10-23-20(18)26)13-16(14-24-19)7-6-15-8-11-22-12-9-15/h4-5,8-14H,3,6-7H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2022 (2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12 Show InChI InChI=1S/C22H21ClN4O/c1-3-27-20-17(22(28)26(2)18-11-12-19(23)25-21(18)27)13-16(14-24-20)10-9-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2096 (2,8-Substituted Dipyridodiazepinone 39 | 2-ethyl-5...) Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12 Show InChI InChI=1S/C21H20FN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2112 (2,8-Substituted Dipyridodiazepinone 55 | 2-Chloro-...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(c3)C(N)=O)cnc12 Show InChI InChI=1S/C22H21ClN6O2/c1-3-29-20-15(22(31)28(2)17-6-7-18(23)27-21(17)29)10-14(12-26-20)5-4-13-8-9-25-16(11-13)19(24)30/h6-12H,3-5H2,1-2H3,(H2,24,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,K702N]/[600-1155,K702N] (Human immunodeficiency virus type 1)	BDBM2022 (2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12 Show InChI InChI=1S/C22H21ClN4O/c1-3-27-20-17(22(28)26(2)18-11-12-19(23)25-21(18)27)13-16(14-24-20)10-9-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2076 (2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetra...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12 Show InChI InChI=1S/C22H22N4O/c1-3-26-20-18(22(27)25(2)19-10-7-13-23-21(19)26)14-17(15-24-20)12-11-16-8-5-4-6-9-16/h4-10,13-15H,3,11-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					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)	BDBM2054 (2,8-disubstituted dipyridodiazepinone 37 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccccc3)cnc12 Show InChI InChI=1S/C21H19ClN4OS/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2057 (2,8-disubstituted dipyridodiazepinone 40 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ncccn3)cnc12 Show InChI InChI=1S/C19H17ClN6OS/c1-3-26-16-13(18(27)25(2)14-5-6-15(20)24-17(14)26)9-12(10-23-16)11-28-19-21-7-4-8-22-19/h4-10H,3,11H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2056 (13-[(benzenesulfonyl)methyl]-5-chloro-2-ethyl-9-me...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)(=O)c3ccccc3)cnc12 Show InChI InChI=1S/C21H19ClN4O3S/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-30(28,29)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair

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