Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'meng' and Initial = 'g'   

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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50385902 (CHEMBL2041596) Show SMILES COc1cc(COC(=O)c2ccc(o2)-c2ccccc2)cc(OC)c1OC Show InChI InChI=1S/C21H20O6/c1-23-18-11-14(12-19(24-2)20(18)25-3)13-26-21(22)17-10-9-16(27-17)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant PDE7A1 using 5 nM to 2 uM cAMP as substrate by Lineweaver-Burk plot analysis				J Med Chem 55: 3274-84 (2012) Article DOI: 10.1021/jm201720d BindingDB Entry DOI: 10.7270/Q2ZS2XJB
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50385903 (CHEMBL2041614) Show SMILES COc1cc(CNC(=O)c2ccc(o2)-c2ccc(C)cc2[N+]([O-])=O)cc(OC)c1OC Show InChI InChI=1S/C22H22N2O7/c1-13-5-6-15(16(9-13)24(26)27)17-7-8-18(31-17)22(25)23-12-14-10-19(28-2)21(30-4)20(11-14)29-3/h5-11H,12H2,1-4H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant PDE7A1 using 5 nM to 2 uM cAMP as substrate by Lineweaver-Burk plot analysis				J Med Chem 55: 3274-84 (2012) Article DOI: 10.1021/jm201720d BindingDB Entry DOI: 10.7270/Q2ZS2XJB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50524502 (CHEMBL4561610) Show SMILES COc1cccc(NC2=Nc3ccc(Cl)cc3C(N2)(C#CC2CC2)C(F)(F)F)c1 |t:8| Show InChI InChI=1S/C21H17ClF3N3O/c1-29-16-4-2-3-15(12-16)26-19-27-18-8-7-14(22)11-17(18)20(28-19,21(23,24)25)10-9-13-5-6-13/h2-4,7-8,11-13H,5-6H2,1H3,(H2,26,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...				Eur J Med Chem 176: 11-20 (2019) Article DOI: 10.1016/j.ejmech.2019.05.011 BindingDB Entry DOI: 10.7270/Q2F47SJC
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...				Eur J Med Chem 176: 11-20 (2019) Article DOI: 10.1016/j.ejmech.2019.05.011 BindingDB Entry DOI: 10.7270/Q2F47SJC
					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	2	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50131550 ((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair				3D Structure (docked)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50524504 (CHEMBL4440982) Show SMILES FC(F)(F)C1(NC(Nc2ccccc2Br)=Nc2ccc(Cl)cc12)C#CC1CC1 |c:15| Show InChI InChI=1S/C20H14BrClF3N3/c21-15-3-1-2-4-17(15)27-18-26-16-8-7-13(22)11-14(16)19(28-18,20(23,24)25)10-9-12-5-6-12/h1-4,7-8,11-12H,5-6H2,(H2,26,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...				Eur J Med Chem 176: 11-20 (2019) Article DOI: 10.1016/j.ejmech.2019.05.011 BindingDB Entry DOI: 10.7270/Q2F47SJC
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50524503 (CHEMBL4555651) Show SMILES FC(F)(F)C1(NC(Nc2ccc(Cl)c(Cl)c2)=Nc2ccc(Cl)cc12)C#CC1CC1 |c:16| Show InChI InChI=1S/C20H13Cl3F3N3/c21-12-3-6-17-14(9-12)19(20(24,25)26,8-7-11-1-2-11)29-18(28-17)27-13-4-5-15(22)16(23)10-13/h3-6,9-11H,1-2H2,(H2,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...				Eur J Med Chem 176: 11-20 (2019) Article DOI: 10.1016/j.ejmech.2019.05.011 BindingDB Entry DOI: 10.7270/Q2F47SJC
					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	4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 GST-fused reverse transcriptase p66/p51 RNA-dependent DNA polymerase activity expressed in Escherichia coli ...				Bioorg Med Chem Lett 28: 3491-3495 (2018) Article DOI: 10.1016/j.bmcl.2018.10.010 BindingDB Entry DOI: 10.7270/Q24170RQ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50524501 (CHEMBL4584006) Show SMILES FC(F)(F)c1cccc(NC2=Nc3ccc(Cl)cc3C(N2)(C#CC2CC2)C(F)(F)F)c1 |t:10| Show InChI InChI=1S/C21H14ClF6N3/c22-14-6-7-17-16(11-14)19(21(26,27)28,9-8-12-4-5-12)31-18(30-17)29-15-3-1-2-13(10-15)20(23,24)25/h1-3,6-7,10-12H,4-5H2,(H2,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...				Eur J Med Chem 176: 11-20 (2019) Article DOI: 10.1016/j.ejmech.2019.05.011 BindingDB Entry DOI: 10.7270/Q2F47SJC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50308854 (CHEMBL590235 | [7-(4-{1-Benzotriazol-1-yl-2-[4-(di...) Show SMILES COC(CC(C)C)c1ccc2ccc(-c3ccc(cc3)C(Cc3ccc(cc3)C(F)(F)P(O)(O)=O)(c3ccccc3)n3nnc4ccccc34)c(c2n1)P(O)(O)=O Show InChI InChI=1S/C42H40F2N4O7P2/c1-27(2)25-38(55-3)36-24-18-30-17-23-34(40(39(30)45-36)56(49,50)51)29-15-21-32(22-16-29)41(31-9-5-4-6-10-31,48-37-12-8-7-11-35(37)46-47-48)26-28-13-19-33(20-14-28)42(43,44)57(52,53)54/h4-24,27,38H,25-26H2,1-3H3,(H2,49,50,51)(H2,52,53,54)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair				3D Structure (docked)
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	6	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...				Eur J Med Chem 176: 11-20 (2019) Article DOI: 10.1016/j.ejmech.2019.05.011 BindingDB Entry DOI: 10.7270/Q2F47SJC
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50291987 (CHEMBL4160562) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccccc1F Show InChI InChI=1S/C25H20FN5/c1-16-13-19(21-5-3-4-6-22(21)26)14-17(2)24(16)30-23-11-12-28-25(31-23)29-20-9-7-18(15-27)8-10-20/h3-14H,1-2H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50524500 (CHEMBL4475694) Show SMILES FC(F)(F)C1(NC(Nc2ccc(cc2)C#N)=Nc2ccc(Cl)cc12)C#CC1CC1 |c:16| Show InChI InChI=1S/C21H14ClF3N4/c22-15-5-8-18-17(11-15)20(21(23,24)25,10-9-13-1-2-13)29-19(28-18)27-16-6-3-14(12-26)4-7-16/h3-8,11,13H,1-2H2,(H2,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as te...				Eur J Med Chem 176: 11-20 (2019) Article DOI: 10.1016/j.ejmech.2019.05.011 BindingDB Entry DOI: 10.7270/Q2F47SJC
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50291965 (CHEMBL4163356) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cccc(c1)C#N Show InChI InChI=1S/C26H20N6/c1-17-12-22(21-5-3-4-20(14-21)16-28)13-18(2)25(17)31-24-10-11-29-26(32-24)30-23-8-6-19(15-27)7-9-23/h3-14H,1-2H3,(H2,29,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50103642 (4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...) Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 GST-fused reverse transcriptase p66/p51 RNA-dependent DNA polymerase activity expressed in Escherichia coli ...				Bioorg Med Chem Lett 28: 3491-3495 (2018) Article DOI: 10.1016/j.bmcl.2018.10.010 BindingDB Entry DOI: 10.7270/Q24170RQ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50291986 (CHEMBL4167795) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cccc(F)c1 Show InChI InChI=1S/C25H20FN5/c1-16-12-20(19-4-3-5-21(26)14-19)13-17(2)24(16)30-23-10-11-28-25(31-23)29-22-8-6-18(15-27)7-9-22/h3-14H,1-2H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50291964 (CHEMBL4174712) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccc(cc1)C#N Show InChI InChI=1S/C26H20N6/c1-17-13-22(21-7-3-19(15-27)4-8-21)14-18(2)25(17)31-24-11-12-29-26(32-24)30-23-9-5-20(16-28)6-10-23/h3-14H,1-2H3,(H2,29,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50291963 (CHEMBL4166811) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccccc1 Show InChI InChI=1S/C25H21N5/c1-17-14-21(20-6-4-3-5-7-20)15-18(2)24(17)29-23-12-13-27-25(30-23)28-22-10-8-19(16-26)9-11-22/h3-15H,1-2H3,(H2,27,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50291982 (CHEMBL4175661) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H20FN5/c1-16-13-20(19-5-7-21(26)8-6-19)14-17(2)24(16)30-23-11-12-28-25(31-23)29-22-9-3-18(15-27)4-10-22/h3-14H,1-2H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50291992 (CHEMBL4160951) Show SMILES Cc1ccccc1-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C26H23N5/c1-17-6-4-5-7-23(17)21-14-18(2)25(19(3)15-21)30-24-12-13-28-26(31-24)29-22-10-8-20(16-27)9-11-22/h4-15H,1-3H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of VCAM (vascular cell adhesion molecule) adhesion to alpha4-beta1 integrin of leukocyte cells				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50291988 (CHEMBL4171159) Show SMILES Cc1ccc(cc1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C26H23N5/c1-17-4-8-21(9-5-17)22-14-18(2)25(19(3)15-22)30-24-12-13-28-26(31-24)29-23-10-6-20(16-27)7-11-23/h4-15H,1-3H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50291967 (CHEMBL4159993) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C25H20ClN5/c1-16-12-20(19-4-3-5-21(26)14-19)13-17(2)24(16)30-23-10-11-28-25(31-23)29-22-8-6-18(15-27)7-9-22/h3-14H,1-2H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL 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
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50291975 (CHEMBL4167914) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccccc1Cl Show InChI InChI=1S/C25H20ClN5/c1-16-13-19(21-5-3-4-6-22(21)26)14-17(2)24(16)30-23-11-12-28-25(31-23)29-20-9-7-18(15-27)8-10-20/h3-14H,1-2H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL 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
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50292173 (CHEMBL4162019) Show SMILES COc1ccccc1-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C26H23N5O/c1-17-14-20(22-6-4-5-7-23(22)32-3)15-18(2)25(17)30-24-12-13-28-26(31-24)29-21-10-8-19(16-27)9-11-21/h4-15H,1-3H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50291966 (CHEMBL4171262) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20ClN5/c1-16-13-20(19-5-7-21(26)8-6-19)14-17(2)24(16)30-23-11-12-28-25(31-23)29-22-9-3-18(15-27)4-10-22/h3-14H,1-2H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50292156 (CHEMBL4172245) Show SMILES COc1ccc(cc1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C26H23N5O/c1-17-14-21(20-6-10-23(32-3)11-7-20)15-18(2)25(17)30-24-12-13-28-26(31-24)29-22-8-4-19(16-27)5-9-22/h4-15H,1-3H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50292172 (CHEMBL4164355) Show SMILES COc1cccc(c1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C26H23N5O/c1-17-13-21(20-5-4-6-23(15-20)32-3)14-18(2)25(17)30-24-11-12-28-26(31-24)29-22-9-7-19(16-27)8-10-22/h4-15H,1-3H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086955 (4-[4''-(2-Benzyl-benzo[b]thiophen-3-yl)-3,5-dibrom...) Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C34H22Br2O6S2/c35-27-17-23(18-28(36)33(27)42-44(40,41)24-14-15-25(34(38)39)29(37)19-24)21-10-12-22(13-11-21)32-26-8-4-5-9-30(26)43-31(32)16-20-6-2-1-3-7-20/h1-15,17-19,37H,16H2,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50291991 (CHEMBL4168889) Show SMILES Cc1cccc(c1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C26H23N5/c1-17-5-4-6-21(13-17)22-14-18(2)25(19(3)15-22)30-24-11-12-28-26(31-24)29-23-9-7-20(16-27)8-10-23/h4-15H,1-3H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL 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
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50308846 (CHEMBL592245 | N-{(S)-1-(1H-Benzoimidazol-2-yl)-2-...) Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1N1CC(=O)NS1(=O)=O |r| Show InChI InChI=1S/C24H23N5O5S2/c1-16-13-17(11-12-22(16)29-15-23(30)28-36(29,33)34)14-21(24-25-19-9-5-6-10-20(19)26-24)27-35(31,32)18-7-3-2-4-8-18/h2-13,21,27H,14-15H2,1H3,(H,25,26)(H,28,30)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50292234 (CHEMBL4164636) Show SMILES Cc1cccc(C)c1-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C27H25N5/c1-17-6-5-7-18(2)25(17)22-14-19(3)26(20(4)15-22)31-24-12-13-29-27(32-24)30-23-10-8-21(16-28)9-11-23/h5-15H,1-4H3,(H2,29,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50292232 (CHEMBL4176144) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C25H19Cl2N5/c1-15-9-18(19-11-20(26)13-21(27)12-19)10-16(2)24(15)31-23-7-8-29-25(32-23)30-22-5-3-17(14-28)4-6-22/h3-13H,1-2H3,(H2,29,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50292218 (CHEMBL4169134) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H20F3N5/c1-16-13-19(21-5-3-4-6-22(21)26(27,28)29)14-17(2)24(16)33-23-11-12-31-25(34-23)32-20-9-7-18(15-30)8-10-20/h3-14H,1-2H3,(H2,31,32,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50292233 (CHEMBL4175919) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C25H19F2N5/c1-15-9-18(19-11-20(26)13-21(27)12-19)10-16(2)24(15)31-23-7-8-29-25(32-23)30-22-5-3-17(14-28)4-6-22/h3-13H,1-2H3,(H2,29,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50292206 (CHEMBL4161215) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H20F3N5/c1-16-12-20(19-4-3-5-21(14-19)26(27,28)29)13-17(2)24(16)33-23-10-11-31-25(34-23)32-22-8-6-18(15-30)7-9-22/h3-14H,1-2H3,(H2,31,32,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50292181 (CHEMBL4172683) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H20F3N5/c1-16-13-20(19-5-7-21(8-6-19)26(27,28)29)14-17(2)24(16)33-23-11-12-31-25(34-23)32-22-9-3-18(15-30)4-10-22/h3-14H,1-2H3,(H2,31,32,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50277784 (CHEMBL484928 | N,N,2-trimethyl-5-nitrobenzenesulfo...) Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE7A1-mediated [3H]cAMP hydrolysis after 20 mins by scintillation proximity assay				J Med Chem 55: 3274-84 (2012) Article DOI: 10.1021/jm201720d BindingDB Entry DOI: 10.7270/Q2ZS2XJB
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50126143 (Epacadostat | INCB-024360) Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50292231 (CHEMBL4172516) Show SMILES Cc1cc(C)cc(c1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C27H25N5/c1-17-11-18(2)13-22(12-17)23-14-19(3)26(20(4)15-23)31-25-9-10-29-27(32-25)30-24-7-5-21(16-28)6-8-24/h5-15H,1-4H3,(H2,29,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539489 (CHEMBL4640334) Show SMILES CCNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:13| Show InChI InChI=1S/C17H17N3O2/c1-2-18-7-5-12-10-20-16-14(21)8-13(17(22)15(12)16)11-4-3-6-19-9-11/h3-4,6,8-10,18,20H,2,5,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of bi...				Eur J Med Chem 145: 726-734 (2018) Article DOI: 10.1016/j.ejmech.2018.01.016 BindingDB Entry DOI: 10.7270/Q21C20DV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50201800 (CHEMBL3901092) Show SMILES O=C1CC(c2ccc(CC(Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Show InChI InChI=1S/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type HIV1 GST-fused reverse transcriptase p66/p51 RNA-dependent DNA polymerase activity expressed in Escherichia coli ...				Bioorg Med Chem Lett 28: 3491-3495 (2018) Article DOI: 10.1016/j.bmcl.2018.10.010 BindingDB Entry DOI: 10.7270/Q24170RQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Cc1sc2c(Br)c3ccccc3c(-c3cc(C)c(O[C@H](Cc4ccccc4)C(O)=O)c(C)c3)c2c1C Show InChI InChI=1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	384	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539495 (CHEMBL4639719) Show SMILES CN(C)CCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:13| Show InChI InChI=1S/C17H17N3O2/c1-20(2)7-5-12-10-19-16-14(21)8-13(17(22)15(12)16)11-4-3-6-18-9-11/h3-4,6,8-10,19H,5,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539488 (CHEMBL4646335) Show SMILES NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:11| Show InChI InChI=1S/C15H13N3O2/c16-4-3-10-8-18-14-12(19)6-11(15(20)13(10)14)9-2-1-5-17-7-9/h1-2,5-8,18H,3-4,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539490 (CHEMBL4636464) Show SMILES CC(C)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:14| Show InChI InChI=1S/C18H19N3O2/c1-11(2)20-7-5-13-10-21-17-15(22)8-14(18(23)16(13)17)12-4-3-6-19-9-12/h3-4,6,8-11,20-21H,5,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539492 (CHEMBL4634284) Show SMILES CC(C)(C)CNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:16| Show InChI InChI=1S/C20H23N3O2/c1-20(2,3)12-22-8-6-14-11-23-18-16(24)9-15(19(25)17(14)18)13-5-4-7-21-10-13/h4-5,7,9-11,22-23H,6,8,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50385909 (CHEMBL2041586) Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)OCc1ccc(o1)-c1ccc(cc1C)[N+]([O-])=O Show InChI InChI=1S/C25H27NO8/c1-5-30-22-13-17(14-23(31-6-2)24(22)32-7-3)25(27)33-15-19-9-11-21(34-19)20-10-8-18(26(28)29)12-16(20)4/h8-14H,5-7,15H2,1-4H3	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	580	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of PDE7A1				J Med Chem 55: 3274-84 (2012) Article DOI: 10.1021/jm201720d BindingDB Entry DOI: 10.7270/Q2ZS2XJB
					More data for this Ligand-Target Pair

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