Compile Data Set for Download or QSAR

Found 1190 hits with Last Name = 'rotili' and Initial = 'd'   

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
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50598638 (CHEMBL5199270) Show SMILES Fc1cccc(c1)S(=O)(=O)N[C@@H](CCCCNC(=S)NCCc1nnn[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00687 BindingDB Entry DOI: 10.7270/Q2125XQ3
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM172038 (US10155002, Compound 44 | US10647700, Compound EPZ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477178 (CHEMBL239063) Show SMILES CC(c1nc([nH]c(=O)c1C)N1CCOCC1)c1c(F)cccc1F Show InChI InChI=1S/C17H19F2N3O2/c1-10(14-12(18)4-3-5-13(14)19)15-11(2)16(23)21-17(20-15)22-6-8-24-9-7-22/h3-5,10H,6-9H2,1-2H3,(H,20,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2325 (2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)e...) Show SMILES CC(c1nc(SC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1F Show InChI InChI=1S/C18H20F2N2OS/c1-10(15-13(19)8-5-9-14(15)20)16-11(2)17(23)22-18(21-16)24-12-6-3-4-7-12/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 10: 661-665 (2019) Article DOI: 10.1021/acsmedchemlett.9b00023 BindingDB Entry DOI: 10.7270/Q2MK6H7P
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50540057 (CHEMBL4636862) Show SMILES OC(=O)CCNC(=S)NCCCC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCC1 |r| Show InChI InChI=1S/C31H39FN6O6S2/c32-21-7-5-10-23(18-21)46(43,44)38-26(13-3-4-15-33-31(45)34-16-14-28(39)40)29(41)37-27(30(42)36-22-8-6-9-22)17-20-19-35-25-12-2-1-11-24(20)25/h1-2,5,7,10-12,18-19,22,26-27,35,38H,3-4,6,8-9,13-17H2,(H,36,42)(H,37,41)(H,39,40)(H2,33,34,45)/t26-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00687 BindingDB Entry DOI: 10.7270/Q2125XQ3
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50598639 (CHEMBL5209031) Show SMILES Fc1cccc(c1)S(=O)(=O)N[C@@H](CCCCNC(=S)NCCc1noc(=O)[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00687 BindingDB Entry DOI: 10.7270/Q2125XQ3
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50510060 (CHEMBL4558305) Show SMILES OC(=O)C(\O)=C\C(=O)\C=C\c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C19H15NO5/c21-16(12-17(22)19(24)25)11-8-13-6-9-15(10-7-13)20-18(23)14-4-2-1-3-5-14/h1-12,22H,(H,20,23)(H,24,25)/b11-8+,17-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 10: 661-665 (2019) Article DOI: 10.1021/acsmedchemlett.9b00023 BindingDB Entry DOI: 10.7270/Q2MK6H7P
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477201 (CHEMBL394990) Show SMILES CCCN(C)c1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C16H19F2N3O/c1-4-8-21(3)16-19-14(10(2)15(22)20-16)9-11-12(17)6-5-7-13(11)18/h5-7H,4,8-9H2,1-3H3,(H,19,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V106A mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50510063 (CHEMBL4568798) Show SMILES OC(=O)C(\O)=C\C(=O)\C=C\c1ccc(NC(=O)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C23H17NO5/c25-18(14-21(26)23(28)29)13-10-15-8-11-17(12-9-15)24-22(27)20-7-3-5-16-4-1-2-6-19(16)20/h1-14,26H,(H,24,27)(H,28,29)/b13-10+,21-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 10: 661-665 (2019) Article DOI: 10.1021/acsmedchemlett.9b00023 BindingDB Entry DOI: 10.7270/Q2MK6H7P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50510058 (CHEMBL4439915) Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1ccc(NC(=O)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C25H21NO5/c1-2-31-25(30)23(28)16-20(27)15-12-17-10-13-19(14-11-17)26-24(29)22-9-5-7-18-6-3-4-8-21(18)22/h3-16,28H,2H2,1H3,(H,26,29)/b15-12+,23-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 10: 661-665 (2019) Article DOI: 10.1021/acsmedchemlett.9b00023 BindingDB Entry DOI: 10.7270/Q2MK6H7P
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477199 (CHEMBL239342) Show SMILES CC(c1nc([nH]c(=O)c1C)N1CCCCC1)c1c(F)cccc1F Show InChI InChI=1S/C18H21F2N3O/c1-11(15-13(19)7-6-8-14(15)20)16-12(2)17(24)22-18(21-16)23-9-4-3-5-10-23/h6-8,11H,3-5,9-10H2,1-2H3,(H,21,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V179D mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477179 (CHEMBL399016) Show SMILES Cc1c(Cc2c(F)cccc2F)nc([nH]c1=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C21H21F2N5O/c1-14-18(13-15-16(22)5-4-6-17(15)23)25-21(26-20(14)29)28-11-9-27(10-12-28)19-7-2-3-8-24-19/h2-8H,9-13H2,1H3,(H,25,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V106A mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477179 (CHEMBL399016) Show SMILES Cc1c(Cc2c(F)cccc2F)nc([nH]c1=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C21H21F2N5O/c1-14-18(13-15-16(22)5-4-6-17(15)23)25-21(26-20(14)29)28-11-9-27(10-12-28)19-7-2-3-8-24-19/h2-8H,9-13H2,1H3,(H,25,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V179D mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50510062 (CHEMBL4575531) Show SMILES OC(=O)C(\O)=C\C(=O)\C=C\c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C23H17NO5/c25-20(14-21(26)23(28)29)12-7-15-5-10-19(11-6-15)24-22(27)18-9-8-16-3-1-2-4-17(16)13-18/h1-14,26H,(H,24,27)(H,28,29)/b12-7+,21-14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 10: 661-665 (2019) Article DOI: 10.1021/acsmedchemlett.9b00023 BindingDB Entry DOI: 10.7270/Q2MK6H7P
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 10: 661-665 (2019) Article DOI: 10.1021/acsmedchemlett.9b00023 BindingDB Entry DOI: 10.7270/Q2MK6H7P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50510060 (CHEMBL4558305) Show SMILES OC(=O)C(\O)=C\C(=O)\C=C\c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C19H15NO5/c21-16(12-17(22)19(24)25)11-8-13-6-9-15(10-7-13)20-18(23)14-4-2-1-3-5-14/h1-12,22H,(H,20,23)(H,24,25)/b11-8+,17-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 10: 661-665 (2019) Article DOI: 10.1021/acsmedchemlett.9b00023 BindingDB Entry DOI: 10.7270/Q2MK6H7P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50510061 (CHEMBL4578890) Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C25H21NO5/c1-2-31-25(30)23(28)16-22(27)14-9-17-7-12-21(13-8-17)26-24(29)20-11-10-18-5-3-4-6-19(18)15-20/h3-16,28H,2H2,1H3,(H,26,29)/b14-9+,23-16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 10: 661-665 (2019) Article DOI: 10.1021/acsmedchemlett.9b00023 BindingDB Entry DOI: 10.7270/Q2MK6H7P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50510063 (CHEMBL4568798) Show SMILES OC(=O)C(\O)=C\C(=O)\C=C\c1ccc(NC(=O)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C23H17NO5/c25-18(14-21(26)23(28)29)13-10-15-8-11-17(12-9-15)24-22(27)20-7-3-5-16-4-1-2-6-19(16)20/h1-14,26H,(H,24,27)(H,28,29)/b13-10+,21-14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 10: 661-665 (2019) Article DOI: 10.1021/acsmedchemlett.9b00023 BindingDB Entry DOI: 10.7270/Q2MK6H7P
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50353128 (CHEMBL1231795) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114410 BindingDB Entry DOI: 10.7270/Q2C53QW7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477200 (CHEMBL396816) Show SMILES CCCN(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C17H21F2N3O/c1-5-9-22(4)17-20-15(11(3)16(23)21-17)10(2)14-12(18)7-6-8-13(14)19/h6-8,10H,5,9H2,1-4H3,(H,20,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V106A mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477198 (CHEMBL239064) Show SMILES CC(c1nc([nH]c(=O)c1C)N1CCSCC1)c1c(F)cccc1F Show InChI InChI=1S/C17H19F2N3OS/c1-10(14-12(18)4-3-5-13(14)19)15-11(2)16(23)21-17(20-15)22-6-8-24-9-7-22/h3-5,10H,6-9H2,1-2H3,(H,20,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V179D mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477188 (CHEMBL239337) Show SMILES CCN(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C16H19F2N3O/c1-5-21(4)16-19-14(10(3)15(22)20-16)9(2)13-11(17)7-6-8-12(13)18/h6-9H,5H2,1-4H3,(H,19,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V179D mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477199 (CHEMBL239342) Show SMILES CC(c1nc([nH]c(=O)c1C)N1CCCCC1)c1c(F)cccc1F Show InChI InChI=1S/C18H21F2N3O/c1-11(15-13(19)7-6-8-14(15)20)16-12(2)17(24)22-18(21-16)23-9-4-3-5-10-23/h6-8,11H,3-5,9-10H2,1-2H3,(H,21,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V106A mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477188 (CHEMBL239337) Show SMILES CCN(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C16H19F2N3O/c1-5-21(4)16-19-14(10(3)15(22)20-16)9(2)13-11(17)7-6-8-12(13)18/h6-9H,5H2,1-4H3,(H,19,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V106A mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50598635 (CHEMBL5172115) Show SMILES CC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=S)CCCC(O)=O)NC(=O)OCc1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00687 BindingDB Entry DOI: 10.7270/Q2125XQ3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 10: 661-665 (2019) Article DOI: 10.1021/acsmedchemlett.9b00023 BindingDB Entry DOI: 10.7270/Q2MK6H7P
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477198 (CHEMBL239064) Show SMILES CC(c1nc([nH]c(=O)c1C)N1CCSCC1)c1c(F)cccc1F Show InChI InChI=1S/C17H19F2N3OS/c1-10(14-12(18)4-3-5-13(14)19)15-11(2)16(23)21-17(20-15)22-6-8-24-9-7-22/h3-5,10H,6-9H2,1-2H3,(H,20,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V106A mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477200 (CHEMBL396816) Show SMILES CCCN(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C17H21F2N3O/c1-5-9-22(4)17-20-15(11(3)16(23)21-17)10(2)14-12(18)7-6-8-13(14)19/h6-8,10H,5,9H2,1-4H3,(H,20,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477185 (CHEMBL239338) Show SMILES CC(C)N(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C17H21F2N3O/c1-9(2)22(5)17-20-15(11(4)16(23)21-17)10(3)14-12(18)7-6-8-13(14)19/h6-10H,1-5H3,(H,20,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V106A mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477196 (CHEMBL393696) Show SMILES CCC(c1cc(=O)[nH]c(n1)N(C)C)c1c(F)cccc1F Show InChI InChI=1S/C15H17F2N3O/c1-4-9(14-10(16)6-5-7-11(14)17)12-8-13(21)19-15(18-12)20(2)3/h5-9H,4H2,1-3H3,(H,18,19,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V179D mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM2325 (2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)e...) Show SMILES CC(c1nc(SC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1F Show InChI InChI=1S/C18H20F2N2OS/c1-10(15-13(19)8-5-9-14(15)20)16-11(2)17(23)22-18(21-16)24-12-6-3-4-7-12/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477186 (CHEMBL238907) Show SMILES CCc1c(nc([nH]c1=O)N(C)C)C(C)c1c(F)cccc1F Show InChI InChI=1S/C16H19F2N3O/c1-5-10-14(19-16(21(3)4)20-15(10)22)9(2)13-11(17)7-6-8-12(13)18/h6-9H,5H2,1-4H3,(H,19,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V179D mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
REST corepressor 1 (Homo sapiens (Human))	BDBM50262048 (CHEMBL3134377) Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@@H]2CCNC2)cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114410 BindingDB Entry DOI: 10.7270/Q2C53QW7
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50510059 (CHEMBL4578633) Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C21H19NO5/c1-2-27-21(26)19(24)14-18(23)13-10-15-8-11-17(12-9-15)22-20(25)16-6-4-3-5-7-16/h3-14,24H,2H2,1H3,(H,22,25)/b13-10+,19-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 10: 661-665 (2019) Article DOI: 10.1021/acsmedchemlett.9b00023 BindingDB Entry DOI: 10.7270/Q2MK6H7P
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50598634 (CHEMBL5188575) Show SMILES CC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=S)NCCC(O)=O)NC(=O)OCc1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00687 BindingDB Entry DOI: 10.7270/Q2125XQ3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50510058 (CHEMBL4439915) Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1ccc(NC(=O)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C25H21NO5/c1-2-31-25(30)23(28)16-20(27)15-12-17-10-13-19(14-11-17)26-24(29)22-9-5-7-18-6-3-4-8-21(18)22/h3-16,28H,2H2,1H3,(H,26,29)/b15-12+,23-16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 10: 661-665 (2019) Article DOI: 10.1021/acsmedchemlett.9b00023 BindingDB Entry DOI: 10.7270/Q2MK6H7P
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477189 (CHEMBL239281) Show SMILES CCCNc1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C16H19F2N3O/c1-4-8-19-16-20-14(10(3)15(22)21-16)9(2)13-11(17)6-5-7-12(13)18/h5-7,9H,4,8H2,1-3H3,(H2,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477188 (CHEMBL239337) Show SMILES CCN(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C16H19F2N3O/c1-5-21(4)16-19-14(10(3)15(22)20-16)9(2)13-11(17)7-6-8-12(13)18/h6-9H,5H2,1-4H3,(H,19,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477185 (CHEMBL239338) Show SMILES CC(C)N(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C17H21F2N3O/c1-9(2)22(5)17-20-15(11(4)16(23)21-17)10(3)14-12(18)7-6-8-13(14)19/h6-10H,1-5H3,(H,20,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477189 (CHEMBL239281) Show SMILES CCCNc1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C16H19F2N3O/c1-4-8-19-16-20-14(10(3)15(22)21-16)9(2)13-11(17)6-5-7-12(13)18/h5-7,9H,4,8H2,1-3H3,(H2,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V106A mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477179 (CHEMBL399016) Show SMILES Cc1c(Cc2c(F)cccc2F)nc([nH]c1=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C21H21F2N5O/c1-14-18(13-15-16(22)5-4-6-17(15)23)25-21(26-20(14)29)28-11-9-27(10-12-28)19-7-2-3-8-24-19/h2-8H,9-13H2,1H3,(H,25,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477186 (CHEMBL238907) Show SMILES CCc1c(nc([nH]c1=O)N(C)C)C(C)c1c(F)cccc1F Show InChI InChI=1S/C16H19F2N3O/c1-5-10-14(19-16(21(3)4)20-15(10)22)9(2)13-11(17)7-6-8-12(13)18/h6-9H,5H2,1-4H3,(H,19,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477180 (CHEMBL238701) Show SMILES Cc1c(Cc2c(F)cccc2F)nc([nH]c1=O)N1CCOCC1 Show InChI InChI=1S/C16H17F2N3O2/c1-10-14(9-11-12(17)3-2-4-13(11)18)19-16(20-15(10)22)21-5-7-23-8-6-21/h2-4H,5-9H2,1H3,(H,19,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477198 (CHEMBL239064) Show SMILES CC(c1nc([nH]c(=O)c1C)N1CCSCC1)c1c(F)cccc1F Show InChI InChI=1S/C17H19F2N3OS/c1-10(14-12(18)4-3-5-13(14)19)15-11(2)16(23)21-17(20-15)22-6-8-24-9-7-22/h3-5,10H,6-9H2,1-2H3,(H,20,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477186 (CHEMBL238907) Show SMILES CCc1c(nc([nH]c1=O)N(C)C)C(C)c1c(F)cccc1F Show InChI InChI=1S/C16H19F2N3O/c1-5-10-14(19-16(21(3)4)20-15(10)22)9(2)13-11(17)7-6-8-12(13)18/h6-9H,5H2,1-4H3,(H,19,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V106A mutant				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477199 (CHEMBL239342) Show SMILES CC(c1nc([nH]c(=O)c1C)N1CCCCC1)c1c(F)cccc1F Show InChI InChI=1S/C18H21F2N3O/c1-11(15-13(19)7-6-8-14(15)20)16-12(2)17(24)22-18(21-16)23-9-4-3-5-10-23/h6-8,11H,3-5,9-10H2,1-2H3,(H,21,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50477197 (CHEMBL391164) Show SMILES CN(C)c1nc(Cc2c(F)cccc2F)cc(=O)[nH]1 Show InChI InChI=1S/C13H13F2N3O/c1-18(2)13-16-8(7-12(19)17-13)6-9-10(14)4-3-5-11(9)15/h3-5,7H,6H2,1-2H3,(H,16,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 3B reverse transcriptase				J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1190 total )  |  Next  |  Last  >>

Jump to: