Compile Data Set for Download or QSAR

Found 201 hits with Last Name = 'grozinger' and Initial = 'kg'   

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
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1539 (2-ethyl-5-[(2-hydroxyethyl)(methyl)amino]-7-methyl...) Show SMILES CCN1c2nc(cc(C)c2NC(=O)c2cccnc12)N(C)CCO Show InChI InChI=1S/C17H21N5O2/c1-4-22-15-12(6-5-7-18-15)17(24)20-14-11(2)10-13(19-16(14)22)21(3)8-9-23/h5-7,10,23H,4,8-9H2,1-3H3,(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1528 (5-chloro-2-ethyl-7-methyl-2,4,9,15-tetraazatricycl...) Show SMILES CCN1c2nc(Cl)cc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C14H13ClN4O/c1-3-19-12-9(5-4-6-16-12)14(20)18-11-8(2)7-10(15)17-13(11)19/h4-7H,3H2,1-2H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.8	25
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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1526 (2-ethyl-5-fluoro-7-methyl-2,4,9,15-tetraazatricycl...) Show SMILES CCN1c2nc(F)cc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C14H13FN4O/c1-3-19-12-9(5-4-6-16-12)14(20)18-11-8(2)7-10(15)17-13(11)19/h4-7H,3H2,1-2H3,(H,18,20)	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	25
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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1562 (2-ethyl-9-methyl-5-(1H-pyrazol-4-yl)-2,4,9,15-tetr...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cn[nH]c1 Show InChI InChI=1S/C17H16N6O/c1-3-23-15-12(5-4-8-18-15)17(24)22(2)14-7-6-13(21-16(14)23)11-9-19-20-10-11/h4-10H,3H2,1-2H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1520 (2-ethyl-5,7-dimethyl-2,4,9,15-tetraazatricyclo[9.4...) Show SMILES CCN1c2nc(C)cc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C15H16N4O/c1-4-19-13-11(6-5-7-16-13)15(20)18-12-9(2)8-10(3)17-14(12)19/h5-8H,4H2,1-3H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.8	25
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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1540 (2-ethyl-9-methyl-5-(pyrrolidin-1-yl)-2,4,9,15-tetr...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)N1CCCC1 Show InChI InChI=1S/C18H21N5O/c1-3-23-16-13(7-6-10-19-16)18(24)21(2)14-8-9-15(20-17(14)23)22-11-4-5-12-22/h6-10H,3-5,11-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1527 (5-chloro-2-cyclopropyl-7-methyl-2,4,9,15-tetraazat...) Show SMILES Cc1cc(Cl)nc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H13ClN4O/c1-8-7-11(16)18-14-12(8)19-15(21)10-3-2-6-17-13(10)20(14)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.8	25
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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1549 (2-ethyl-7-methyl-5-(methylsulfanyl)-2,4,9,15-tetra...) Show SMILES CCN1c2nc(SC)cc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C15H16N4OS/c1-4-19-13-10(6-5-7-16-13)15(20)18-12-9(2)8-11(21-3)17-14(12)19/h5-8H,4H2,1-3H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1531 (2-Bromo-11-cyclopropyl-5-methyl-5,11-dihydro-6H-di...) Show SMILES CN1c2ccc(Br)nc2N(C2CC2)c2ncccc2C1=O Show InChI InChI=1S/C15H13BrN4O/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/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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1553 (2-ethyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15-tetra...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]c1 Show InChI InChI=1S/C18H17N5O/c1-3-23-16-13(5-4-9-20-16)18(24)22(2)15-7-6-14(21-17(15)23)12-8-10-19-11-12/h4-11,19H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005159 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(2-met...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC1CCCO1)CC(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C32H38ClF3N4O8S/c1-18(2)26(28(42)32(34,35)36)37-25(41)17-40(16-23-6-5-15-48-23)31(45)27(19(3)4)38-29(43)20-7-9-21(10-8-20)30(44)39-49(46,47)24-13-11-22(33)12-14-24/h7-14,18-19,23,26-27H,5-6,15-17H2,1-4H3,(H,37,41)(H,38,43)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1517 (2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	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 34: 2231-41 (1991) Article DOI: 10.1021/jm00111a045 BindingDB Entry DOI: 10.7270/Q2TT4P4X
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1646 (2-ethyl-10,12,13-trimethyl-2,4,10-triazatricyclo[9...) Show SMILES CCN1c2ccc(C)c(C)c2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C17H19N3O/c1-5-20-14-9-8-11(2)12(3)15(14)19(4)17(21)13-7-6-10-18-16(13)20/h6-10H,5H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	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 34: 2231-41 (1991) Article DOI: 10.1021/jm00111a045 BindingDB Entry DOI: 10.7270/Q2TT4P4X
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005147 ((S)-1-{(S)-2-[4-(4-Bromo-benzenesulfonylaminocarbo...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r| Show InChI InChI=1S/C30H34BrF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,23-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1639 (2-ethyl-12-methyl-2,4,10-triazatricyclo[9.4.0.0^{3...) Show SMILES CCN1c2cccc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C15H15N3O/c1-3-18-12-8-4-6-10(2)13(12)17-15(19)11-7-5-9-16-14(11)18/h4-9H,3H2,1-2H3,(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	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 34: 2231-41 (1991) Article DOI: 10.1021/jm00111a045 BindingDB Entry DOI: 10.7270/Q2TT4P4X
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1547 (2-ethyl-5-methoxy-9-methyl-2,4,9,15-tetraazatricyc...) Show SMILES CCN1c2nc(OC)ccc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C15H16N4O2/c1-4-19-13-10(6-5-9-16-13)15(20)18(2)11-7-8-12(21-3)17-14(11)19/h5-9H,4H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1517 (2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.8	25
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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1644 (2-ethyl-10,13,14-trimethyl-2,4,10-triazatricyclo[9...) Show SMILES CCN1c2cc(C)c(C)cc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C17H19N3O/c1-5-20-15-10-12(3)11(2)9-14(15)19(4)17(21)13-7-6-8-18-16(13)20/h6-10H,5H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	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 34: 2231-41 (1991) Article DOI: 10.1021/jm00111a045 BindingDB Entry DOI: 10.7270/Q2TT4P4X
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1571 (5-(4-aminophenyl)-2-ethyl-9-methyl-2,4,9,15-tetraa...) Show SMILES CCN1c2ncccc2C(=O)N(C)c2ccc(nc12)-c1ccc(N)cc1 Show InChI InChI=1S/C20H19N5O/c1-3-25-18-15(5-4-12-22-18)20(26)24(2)17-11-10-16(23-19(17)25)13-6-8-14(21)9-7-13/h4-12H,3,21H2,1-2H3	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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM1553 (2-ethyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15-tetra...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]c1 Show InChI InChI=1S/C18H17N5O/c1-3-23-16-13(5-4-9-20-16)18(24)22(2)15-7-6-14(21-17(15)23)12-8-10-19-11-12/h4-11,19H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1551 (2-ethyl-5-(furan-3-yl)-9-methyl-2,4,9,15-tetraazat...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccoc1 Show InChI InChI=1S/C18H16N4O2/c1-3-22-16-13(5-4-9-19-16)18(23)21(2)15-7-6-14(20-17(15)22)12-8-10-24-11-12/h4-11H,3H2,1-2H3	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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1554 (2-cyclopropyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15...) Show SMILES CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1cc[nH]c1 Show InChI InChI=1S/C19H17N5O/c1-23-16-7-6-15(12-8-10-20-11-12)22-18(16)24(13-4-5-13)17-14(19(23)25)3-2-9-21-17/h2-3,6-11,13,20H,4-5H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM1563 (2-cyclopropyl-9-methyl-5-(1H-pyrazol-4-yl)-2,4,9,1...) Show SMILES CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1cn[nH]c1 Show InChI InChI=1S/C18H16N6O/c1-23-15-7-6-14(11-9-20-21-10-11)22-17(15)24(12-4-5-12)16-13(18(23)25)3-2-8-19-16/h2-3,6-10,12H,4-5H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1574 (5-(6-aminopyridin-3-yl)-2-ethyl-9-methyl-2,4,9,15-...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccc(N)nc1 Show InChI InChI=1S/C19H18N6O/c1-3-25-17-13(5-4-10-21-17)19(26)24(2)15-8-7-14(23-18(15)25)12-6-9-16(20)22-11-12/h4-11H,3H2,1-2H3,(H2,20,22)	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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005166 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(2-met...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CC(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C28H32ClF3N4O7S/c1-15(2)22(24(38)28(30,31)32)33-21(37)14-36(5)27(41)23(16(3)4)34-25(39)17-6-8-18(9-7-17)26(40)35-44(42,43)20-12-10-19(29)11-13-20/h6-13,15-16,22-23H,14H2,1-5H3,(H,33,37)(H,34,39)(H,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005176 (4-{{2-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-b...) Show SMILES CCOC(=O)N1CCC(CC1)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C Show InChI InChI=1S/C35H43ClF3N5O9S/c1-6-53-34(50)43-17-15-25(16-18-43)44(19-27(45)40-28(20(2)3)30(46)35(37,38)39)33(49)29(21(4)5)41-31(47)22-7-9-23(10-8-22)32(48)42-54(51,52)26-13-11-24(36)12-14-26/h7-14,20-21,25,28-29H,6,15-19H2,1-5H3,(H,40,45)(H,41,47)(H,42,48)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM1562 (2-ethyl-9-methyl-5-(1H-pyrazol-4-yl)-2,4,9,15-tetr...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cn[nH]c1 Show InChI InChI=1S/C17H16N6O/c1-3-23-15-12(5-4-8-18-15)17(24)22(2)14-7-6-13(21-16(14)23)11-9-19-20-10-11/h4-10H,3H2,1-2H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM1554 (2-cyclopropyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15...) Show SMILES CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1cc[nH]c1 Show InChI InChI=1S/C19H17N5O/c1-23-16-7-6-15(12-8-10-20-11-12)22-18(16)24(13-4-5-13)17-14(19(23)25)3-2-9-21-17/h2-3,6-11,13,20H,4-5H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1563 (2-cyclopropyl-9-methyl-5-(1H-pyrazol-4-yl)-2,4,9,1...) Show SMILES CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1cn[nH]c1 Show InChI InChI=1S/C18H16N6O/c1-23-15-7-6-14(11-9-20-21-10-11)22-17(15)24(12-4-5-12)16-13(18(23)25)3-2-8-19-16/h2-3,6-10,12H,4-5H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005174 (CHEMBL435649 | N-(1-{Bicyclo[2.2.1]hept-2-yl-[(3,3...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CC2CCC1C2 |THB:28:43:49:47.46| Show InChI InChI=1S/C34H40ClF3N4O7S/c1-18(2)28(30(44)34(36,37)38)39-27(43)17-42(26-16-20-5-6-23(26)15-20)33(47)29(19(3)4)40-31(45)21-7-9-22(10-8-21)32(46)41-50(48,49)25-13-11-24(35)12-14-25/h7-14,18-20,23,26,28-29H,5-6,15-17H2,1-4H3,(H,39,43)(H,40,45)(H,41,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1647 (13,14-dichloro-2-ethyl-10-methyl-2,4,10-triazatric...) Show SMILES CCN1c2cc(Cl)c(Cl)cc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C15H13Cl2N3O/c1-3-20-13-8-11(17)10(16)7-12(13)19(2)15(21)9-5-4-6-18-14(9)20/h4-8H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	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 34: 2231-41 (1991) Article DOI: 10.1021/jm00111a045 BindingDB Entry DOI: 10.7270/Q2TT4P4X
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005154 (CHEMBL423067 | {2-Methyl-1-[2-(3,3,3-trifluoro-1-i...) Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C21H34F3N3O5/c1-11(2)14(16(28)21(22,23)24)25-17(29)13-9-8-10-27(13)18(30)15(12(3)4)26-19(31)32-20(5,6)7/h11-15H,8-10H2,1-7H3,(H,25,29)(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005156 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{cy...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CCCCCCC1 Show InChI InChI=1S/C35H44ClF3N4O7S/c1-21(2)29(31(45)35(37,38)39)40-28(44)20-43(26-10-8-6-5-7-9-11-26)34(48)30(22(3)4)41-32(46)23-12-14-24(15-13-23)33(47)42-51(49,50)27-18-16-25(36)17-19-27/h12-19,21-22,26,29-30H,5-11,20H2,1-4H3,(H,40,44)(H,41,46)(H,42,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM1552 (2-ethyl-9-methyl-5-(1H-pyrrol-2-yl)-2,4,9,15-tetra...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccc[nH]1 Show InChI InChI=1S/C18H17N5O/c1-3-23-16-12(6-4-11-20-16)18(24)22(2)15-9-8-14(21-17(15)23)13-7-5-10-19-13/h4-11,19H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1570 (2-ethyl-5-(4-hydroxyphenyl)-9-methyl-2,4,9,15-tetr...) Show SMILES CCN1c2ncccc2C(=O)N(C)c2ccc(nc12)-c1ccc(O)cc1 Show InChI InChI=1S/C20H18N4O2/c1-3-24-18-15(5-4-12-21-18)20(26)23(2)17-11-10-16(22-19(17)24)13-6-8-14(25)9-7-13/h4-12,25H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 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/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1552 (2-ethyl-9-methyl-5-(1H-pyrrol-2-yl)-2,4,9,15-tetra...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccc[nH]1 Show InChI InChI=1S/C18H17N5O/c1-3-23-16-12(6-4-11-20-16)18(24)22(2)15-9-8-14(21-17(15)23)13-7-5-10-19-13/h4-11,19H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1519 (2-cyclopropyl-5,7-dimethyl-2,4,9,15-tetraazatricyc...) Show SMILES Cc1cc(C)c2NC(=O)c3cccnc3N(C3CC3)c2n1 Show InChI InChI=1S/C16H16N4O/c1-9-8-10(2)18-15-13(9)19-16(21)12-4-3-7-17-14(12)20(15)11-5-6-11/h3-4,7-8,11H,5-6H2,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	7.8	25
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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1538 (5-(dimethylamino)-2-ethyl-9-methyl-2,4,9,15-tetraa...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)N(C)C Show InChI InChI=1S/C16H19N5O/c1-5-21-14-11(7-6-10-17-14)16(22)20(4)12-8-9-13(19(2)3)18-15(12)21/h6-10H,5H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005152 (CHEMBL160365 | {2-Methyl-1-[3-(3,3,3-trifluoro-1-i...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C29H34F3N3O5/c1-17(2)23(25(36)29(30,31)32)33-26(37)22-14-20-12-8-9-13-21(20)15-35(22)27(38)24(18(3)4)34-28(39)40-16-19-10-6-5-7-11-19/h5-13,17-18,22-24H,14-16H2,1-4H3,(H,33,37)(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005178 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(2-met...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C27H30ClF3N4O7S/c1-14(2)21(23(37)27(29,30)31)33-20(36)13-32-26(40)22(15(3)4)34-24(38)16-5-7-17(8-6-16)25(39)35-43(41,42)19-11-9-18(28)10-12-19/h5-12,14-15,21-22H,13H2,1-4H3,(H,32,40)(H,33,36)(H,34,38)(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005152 (CHEMBL160365 | {2-Methyl-1-[3-(3,3,3-trifluoro-1-i...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C29H34F3N3O5/c1-17(2)23(25(36)29(30,31)32)33-26(37)22-14-20-12-8-9-13-21(20)15-35(22)27(38)24(18(3)4)34-28(39)40-16-19-10-6-5-7-11-19/h5-13,17-18,22-24H,14-16H2,1-4H3,(H,33,37)(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1529 (5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricycl...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C14H13ClN4O/c1-3-19-12-9(5-4-8-16-12)14(20)18(2)10-6-7-11(15)17-13(10)19/h4-8H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.8	25
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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.8	25
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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutrophil elastase (Homo sapiens (Human))	BDBM50004184 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-((S)-1...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1 Show InChI InChI=1S/C36H38ClF3N4O7S/c1-20(2)30(32(46)36(38,39)40)41-29(45)19-44(27-17-24-7-5-6-8-25(24)18-27)35(49)31(21(3)4)42-33(47)22-9-11-23(12-10-22)34(48)43-52(50,51)28-15-13-26(37)14-16-28/h5-16,20-21,27,30-31H,17-19H2,1-4H3,(H,41,45)(H,42,47)(H,43,48)/t30?,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005164 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{[2...) Show SMILES COc1ccc(CCN(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)cc1OC Show InChI InChI=1S/C37H42ClF3N4O9S/c1-21(2)31(33(47)37(39,40)41)42-30(46)20-45(18-17-23-7-16-28(53-5)29(19-23)54-6)36(50)32(22(3)4)43-34(48)24-8-10-25(11-9-24)35(49)44-55(51,52)27-14-12-26(38)13-15-27/h7-16,19,21-22,31-32H,17-18,20H2,1-6H3,(H,42,46)(H,43,48)(H,44,49)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	84	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 34: 2231-41 (1991) Article DOI: 10.1021/jm00111a045 BindingDB Entry DOI: 10.7270/Q2TT4P4X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1522 (2,5-diethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4...) Show SMILES CCN1c2nc(CC)cc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C16H18N4O/c1-4-11-9-10(3)13-15(18-11)20(5-2)14-12(16(21)19-13)7-6-8-17-14/h6-9H,4-5H2,1-3H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.8	25
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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 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/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.8	25
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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1544 (2-ethyl-9-methyl-5-(1H-pyrrol-1-yl)-2,4,9,15-tetra...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-n1cccc1 Show InChI InChI=1S/C18H17N5O/c1-3-23-16-13(7-6-10-19-16)18(24)21(2)14-8-9-15(20-17(14)23)22-11-4-5-12-22/h4-12H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair

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