Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'corbau' and Initial = 'r'   

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 (Human immunodeficiency virus 1)	BDBM50483552 (Lersivirine | UK-453061) Show SMILES CCc1nn(CCO)c(CC)c1Oc1cc(cc(c1)C#N)C#N Show InChI InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Mixed non-competitive inhibition of HIV1 reverse transcriptase activity				Antimicrob Agents Chemother 54: 4451-63 (2010) Article DOI: 10.1128/AAC.01455-09 BindingDB Entry DOI: 10.7270/Q2WQ06MG
					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	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase activity by primer extension assay				Antimicrob Agents Chemother 54: 4451-63 (2010) Article DOI: 10.1128/AAC.01455-09 BindingDB Entry DOI: 10.7270/Q2WQ06MG
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442711 (CHEMBL2442509) Show SMILES CN(Cc1ccccc1)c1ccc2cc(C(O)=O)c(=O)oc2c1 Show InChI InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27577 (5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...) Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM27577 (5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...) Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 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/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	40	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27579 (AG 1549 | CPV | Capravirine | {5-[(3,5-dichlorophe...) Show SMILES CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27576 (5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-...) Show SMILES Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442711 (CHEMBL2442509) Show SMILES CN(Cc1ccccc1)c1ccc2cc(C(O)=O)c(=O)oc2c1 Show InChI InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM27579 (AG 1549 | CPV | Capravirine | {5-[(3,5-dichlorophe...) Show SMILES CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27579 (AG 1549 | CPV | Capravirine | {5-[(3,5-dichlorophe...) Show SMILES CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27578 (5-{[7-(hydroxymethyl)-3-methyl-1H-indazol-4-yl]oxy...) Show SMILES Cc1n[nH]c2c(CO)ccc(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H12N4O2/c1-10-16-15(3-2-13(9-22)17(16)21-20-10)23-14-5-11(7-18)4-12(6-14)8-19/h2-6,22H,9H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27572 (5-[(3-ethyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarb...) Show SMILES CCc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H12N4O/c1-2-14-17-15(21-20-14)4-3-5-16(17)22-13-7-11(9-18)6-12(8-13)10-19/h3-8H,2H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (docked)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50483552 (Lersivirine | UK-453061) Show SMILES CCc1nn(CCO)c(CC)c1Oc1cc(cc(c1)C#N)C#N Show InChI InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase activity by primer extension assay				Antimicrob Agents Chemother 54: 4451-63 (2010) Article DOI: 10.1128/AAC.01455-09 BindingDB Entry DOI: 10.7270/Q2WQ06MG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM27576 (5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-...) Show SMILES Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27577 (5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...) Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50483552 (Lersivirine | UK-453061) Show SMILES CCc1nn(CCO)c(CC)c1Oc1cc(cc(c1)C#N)C#N Show InChI InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of HIV1 HXB2 reverse transcriptase K103N mutant activity by primer extension assay				Antimicrob Agents Chemother 54: 4451-63 (2010) Article DOI: 10.1128/AAC.01455-09 BindingDB Entry DOI: 10.7270/Q2WQ06MG
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442710 (CHEMBL1303766) Show SMILES CCN(CC)c1ccc2cc(C(O)=O)c(=O)oc2c1 Show InChI InChI=1S/C14H15NO4/c1-3-15(4-2)10-6-5-9-7-11(13(16)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27571 (5-[(3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicar...) Show SMILES Cc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C16H10N4O/c1-10-16-14(20-19-10)3-2-4-15(16)21-13-6-11(8-17)5-12(7-13)9-18/h2-7H,1H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	332	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 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/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	364	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27576 (5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-...) Show SMILES Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	384	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27575 (5-[(5-chloro-3-methyl-1H-indazol-4-yl)oxy]benzene-...) Show SMILES Cc1n[nH]c2ccc(Cl)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C16H9ClN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	399	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (docked)
Reverse transcriptase protein (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	n/a	n/a	414	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of HIV1 HXB2 reverse transcriptase K103N mutant activity by primer extension assay				Antimicrob Agents Chemother 54: 4451-63 (2010) Article DOI: 10.1128/AAC.01455-09 BindingDB Entry DOI: 10.7270/Q2WQ06MG
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442718 (CHEMBL2442512) Show SMILES OC(=O)c1cc2cc3CCCN4CCCc(c34)c2oc1=O Show InChI InChI=1S/C16H15NO4/c18-15(19)12-8-10-7-9-3-1-5-17-6-2-4-11(13(9)17)14(10)21-16(12)20/h7-8H,1-6H2,(H,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442710 (CHEMBL1303766) Show SMILES CCN(CC)c1ccc2cc(C(O)=O)c(=O)oc2c1 Show InChI InChI=1S/C14H15NO4/c1-3-15(4-2)10-6-5-9-7-11(13(16)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442717 (CHEMBL2442515) Show SMILES OC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O Show InChI InChI=1S/C17H11FO5/c18-12-4-1-10(2-5-12)9-22-13-6-3-11-7-14(16(19)20)17(21)23-15(11)8-13/h1-8H,9H2,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27578 (5-{[7-(hydroxymethyl)-3-methyl-1H-indazol-4-yl]oxy...) Show SMILES Cc1n[nH]c2c(CO)ccc(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H12N4O2/c1-10-16-15(3-2-13(9-22)17(16)21-20-10)23-14-5-11(7-18)4-12(6-14)8-19/h2-6,22H,9H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442716 (CHEMBL2442510) Show SMILES CN(C)c1ccc2cc(C(O)=O)c(=O)oc2c1 Show InChI InChI=1S/C12H11NO4/c1-13(2)8-4-3-7-5-9(11(14)15)12(16)17-10(7)6-8/h3-6H,1-2H3,(H,14,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27574 (5-{[3-(methoxymethyl)-1H-indazol-4-yl]oxy}benzene-...) Show SMILES COCc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H12N4O2/c1-22-10-15-17-14(20-21-15)3-2-4-16(17)23-13-6-11(8-18)5-12(7-13)9-19/h2-7H,10H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (docked)
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442715 (CHEMBL2442513) Show SMILES OC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O Show InChI InChI=1S/C17H12O5/c18-16(19)14-8-12-6-7-13(9-15(12)22-17(14)20)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442714 (CHEMBL1830821) Show SMILES COc1ccc2cc(C(O)=O)c(=O)oc2c1 Show InChI InChI=1S/C11H8O5/c1-15-7-3-2-6-4-8(10(12)13)11(14)16-9(6)5-7/h2-5H,1H3,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442713 (CHEMBL2442514) Show SMILES OC(=O)c1cc2ccc(OCCc3ccccc3)cc2oc1=O Show InChI InChI=1S/C18H14O5/c19-17(20)15-10-13-6-7-14(11-16(13)23-18(15)21)22-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442712 (CHEMBL2442508) Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N1CCOCC1 Show InChI InChI=1S/C14H13NO5/c16-13(17)11-7-9-1-2-10(8-12(9)20-14(11)18)15-3-5-19-6-4-15/h1-2,7-8H,3-6H2,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50302396 (5-(3,5-diethyl-1H-pyrazol-4-yloxy)isophthalonitril...) Show SMILES CCc1n[nH]c(CC)c1Oc1cc(cc(c1)C#N)C#N Show InChI InChI=1S/C15H14N4O/c1-3-13-15(14(4-2)19-18-13)20-12-6-10(8-16)5-11(7-12)9-17/h5-7H,3-4H2,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 19: 5857-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.080 BindingDB Entry DOI: 10.7270/Q2R78F8V
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442701 (CHEMBL2074836) Show SMILES Oc1ccc(\C=C(/C#N)C([O-])=O)cc1 Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/p-1/b8-5+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442702 (CHEMBL2442511 | US9296728, 26) Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N1CCCC1 Show InChI InChI=1S/C14H13NO4/c16-13(17)11-7-9-3-4-10(15-5-1-2-6-15)8-12(9)19-14(11)18/h3-4,7-8H,1-2,5-6H2,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27573 (5-({3-[(methylamino)methyl]-1H-indazol-4-yl}oxy)be...) Show SMILES CNCc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H13N5O/c1-20-10-15-17-14(21-22-15)3-2-4-16(17)23-13-6-11(8-18)5-12(7-13)9-19/h2-7,20H,10H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (docked)
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442703 (CHEMBL2442507) Show SMILES COc1ccc2c(C)c(C(O)=O)c(=O)oc2c1 Show InChI InChI=1S/C12H10O5/c1-6-8-4-3-7(16-2)5-9(8)17-12(15)10(6)11(13)14/h3-5H,1-2H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442704 (CHEMBL2442506) Show SMILES Cc1c(C(O)=O)c(=O)oc2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C18H14O5/c1-11-14-8-7-13(22-10-12-5-3-2-4-6-12)9-15(14)23-18(21)16(11)17(19)20/h2-9H,10H2,1H3,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442705 (CHEMBL2442505) Show SMILES Cc1c(C(O)=O)c(=O)oc2cc(O)ccc12 Show InChI InChI=1S/C11H8O5/c1-5-7-3-2-6(12)4-8(7)16-11(15)9(5)10(13)14/h2-4,12H,1H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442706 (CHEMBL2442504) Show SMILES OC(=O)c1cc2ccc(OCc3ccccc3)cc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C24H19NO4/c26-23-21(24(27)28)13-19-11-12-20(29-16-18-9-5-2-6-10-18)14-22(19)25(23)15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442708 (CHEMBL2442517) Show SMILES Cn1c2cc(OCc3ccccc3)ccc2cc(C(O)=O)c1=O Show InChI InChI=1S/C18H15NO4/c1-19-16-10-14(23-11-12-5-3-2-4-6-12)8-7-13(16)9-15(17(19)20)18(21)22/h2-10H,11H2,1H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442709 (CHEMBL2442516) Show SMILES OC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]c1=O Show InChI InChI=1S/C17H13NO4/c19-16-14(17(20)21)8-12-6-7-13(9-15(12)18-16)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442707 (CHEMBL2442503) Show SMILES CCn1c2cc(OCc3ccccc3)ccc2cc(C(O)=O)c1=O Show InChI InChI=1S/C19H17NO4/c1-2-20-17-11-15(24-12-13-6-4-3-5-7-13)9-8-14(17)10-16(18(20)21)19(22)23/h3-11H,2,12H2,1H3,(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50302397 (3-(3,5-diethyl-1H-pyrazol-4-yloxy)-5-chlorobenzoni...) Show SMILES CCc1n[nH]c(CC)c1Oc1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C14H14ClN3O/c1-3-12-14(13(4-2)18-17-12)19-11-6-9(8-16)5-10(15)7-11/h5-7H,3-4H2,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 19: 5857-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.080 BindingDB Entry DOI: 10.7270/Q2R78F8V
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442701 (CHEMBL2074836) Show SMILES Oc1ccc(\C=C(/C#N)C([O-])=O)cc1 Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/p-1/b8-5+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50302398 (3-(3,5-diethyl-1H-pyrazol-4-yloxy)-5-methylbenzoni...) Show SMILES CCc1n[nH]c(CC)c1Oc1cc(C)cc(c1)C#N Show InChI InChI=1S/C15H17N3O/c1-4-13-15(14(5-2)18-17-13)19-12-7-10(3)6-11(8-12)9-16/h6-8H,4-5H2,1-3H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 19: 5857-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.080 BindingDB Entry DOI: 10.7270/Q2R78F8V
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50483552 (Lersivirine | UK-453061) Show SMILES CCc1nn(CCO)c(CC)c1Oc1cc(cc(c1)C#N)C#N Show InChI InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	624	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to recombinant HIV1 reverse transcriptase by isothermal calorimetry				Antimicrob Agents Chemother 54: 4451-63 (2010) Article DOI: 10.1128/AAC.01455-09 BindingDB Entry DOI: 10.7270/Q2WQ06MG
					More data for this Ligand-Target Pair