Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'hirschfeld' and Initial = 'dr'   

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 protein (Human immunodeficiency virus 1)	BDBM50482300 (CHEMBL1170386) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H28BrN5O3S/c1-17-12-20(14-28)13-18(2)24(17)35-25-23(27)15-29-26(31-25)30-21-8-10-32(11-9-21)16-19-4-6-22(7-5-19)36(3,33)34/h4-7,12-13,15,21H,8-11,16H2,1-3H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482304 (CHEMBL1170190) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3)CC2)ncc1Br)C#N Show InChI InChI=1S/C25H26BrN5O/c1-17-12-20(14-27)13-18(2)23(17)32-24-22(26)15-28-25(30-24)29-21-8-10-31(11-9-21)16-19-6-4-3-5-7-19/h3-7,12-13,15,21H,8-11,16H2,1-2H3,(H,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482308 (CHEMBL1169643) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C#N)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H25BrN6O/c1-17-11-21(14-29)12-18(2)24(17)34-25-23(27)15-30-26(32-25)31-22-7-9-33(10-8-22)16-20-5-3-19(13-28)4-6-20/h3-6,11-12,15,22H,7-10,16H2,1-2H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482304 (CHEMBL1170190) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3)CC2)ncc1Br)C#N Show InChI InChI=1S/C25H26BrN5O/c1-17-12-20(14-27)13-18(2)23(17)32-24-22(26)15-28-25(30-24)29-21-8-10-31(11-9-21)16-19-6-4-3-5-7-19/h3-7,12-13,15,21H,8-11,16H2,1-2H3,(H,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482298 (CHEMBL1171403) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)S(N)(=O)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C25H26BrClN6O3S/c1-15-9-17(12-28)10-16(2)23(15)36-24-21(26)13-30-25(32-24)31-19-5-7-33(8-6-19)14-18-3-4-20(11-22(18)27)37(29,34)35/h3-4,9-11,13,19H,5-8,14H2,1-2H3,(H2,29,34,35)(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482308 (CHEMBL1169643) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C#N)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H25BrN6O/c1-17-11-21(14-29)12-18(2)24(17)34-25-23(27)15-30-26(32-25)31-22-7-9-33(10-8-22)16-20-5-3-19(13-28)4-6-20/h3-6,11-12,15,22H,7-10,16H2,1-2H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482299 (CHEMBL1170387) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(Cc3ccc(cc3Cl)S(C)(=O)=O)CC2)n1)C#N Show InChI InChI=1S/C26H28ClN5O3S/c1-17-12-19(15-28)13-18(2)25(17)35-24-6-9-29-26(31-24)30-21-7-10-32(11-8-21)16-20-4-5-22(14-23(20)27)36(3,33)34/h4-6,9,12-14,21H,7-8,10-11,16H2,1-3H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482301 (CHEMBL1170591) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(c3)C#N)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H25BrN6O/c1-17-10-21(14-29)11-18(2)24(17)34-25-23(27)15-30-26(32-25)31-22-6-8-33(9-7-22)16-20-5-3-4-19(12-20)13-28/h3-5,10-12,15,22H,6-9,16H2,1-2H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482310 (CHEMBL1170006) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(Cc3ccc(cc3Cl)S(N)(=O)=O)CC2)n1)C#N Show InChI InChI=1S/C25H27ClN6O3S/c1-16-11-18(14-27)12-17(2)24(16)35-23-5-8-29-25(31-23)30-20-6-9-32(10-7-20)15-19-3-4-21(13-22(19)26)36(28,33)34/h3-5,8,11-13,20H,6-7,9-10,15H2,1-2H3,(H2,28,33,34)(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482301 (CHEMBL1170591) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(c3)C#N)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H25BrN6O/c1-17-10-21(14-29)11-18(2)24(17)34-25-23(27)15-30-26(32-25)31-22-6-8-33(9-7-22)16-20-5-3-4-19(12-20)13-28/h3-5,10-12,15,22H,6-9,16H2,1-2H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482313 (CHEMBL1170005) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)S(C)(=O)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H27BrClN5O3S/c1-16-10-18(13-29)11-17(2)24(16)36-25-22(27)14-30-26(32-25)31-20-6-8-33(9-7-20)15-19-4-5-21(12-23(19)28)37(3,34)35/h4-5,10-12,14,20H,6-9,15H2,1-3H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482306 (CHEMBL1172334) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C(O)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H25BrClN5O3/c1-15-9-17(12-29)10-16(2)23(15)36-24-21(27)13-30-26(32-24)31-20-5-7-33(8-6-20)14-19-4-3-18(25(34)35)11-22(19)28/h3-4,9-11,13,20H,5-8,14H2,1-2H3,(H,34,35)(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482300 (CHEMBL1170386) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H28BrN5O3S/c1-17-12-20(14-28)13-18(2)24(17)35-25-23(27)15-29-26(31-25)30-21-8-10-32(11-9-21)16-19-4-6-22(7-5-19)36(3,33)34/h4-7,12-13,15,21H,8-11,16H2,1-3H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188L mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482300 (CHEMBL1170386) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H28BrN5O3S/c1-17-12-20(14-28)13-18(2)24(17)35-25-23(27)15-29-26(31-25)30-21-8-10-32(11-9-21)16-19-4-6-22(7-5-19)36(3,33)34/h4-7,12-13,15,21H,8-11,16H2,1-3H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482302 (CHEMBL1170378) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3C#N)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H25BrN6O/c1-17-11-19(13-28)12-18(2)24(17)34-25-23(27)15-30-26(32-25)31-22-7-9-33(10-8-22)16-21-6-4-3-5-20(21)14-29/h3-6,11-12,15,22H,7-10,16H2,1-2H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482299 (CHEMBL1170387) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(Cc3ccc(cc3Cl)S(C)(=O)=O)CC2)n1)C#N Show InChI InChI=1S/C26H28ClN5O3S/c1-17-12-19(15-28)13-18(2)25(17)35-24-6-9-29-26(31-24)30-21-7-10-32(11-8-21)16-20-4-5-22(14-23(20)27)36(3,33)34/h4-6,9,12-14,21H,7-8,10-11,16H2,1-3H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482306 (CHEMBL1172334) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C(O)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H25BrClN5O3/c1-15-9-17(12-29)10-16(2)23(15)36-24-21(27)13-30-26(32-24)31-20-5-7-33(8-6-20)14-19-4-3-18(25(34)35)11-22(19)28/h3-4,9-11,13,20H,5-8,14H2,1-2H3,(H,34,35)(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482307 (CHEMBL1169811) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)n1)C#N Show InChI InChI=1S/C26H29N5O3S/c1-18-14-21(16-27)15-19(2)25(18)34-24-8-11-28-26(30-24)29-22-9-12-31(13-10-22)17-20-4-6-23(7-5-20)35(3,32)33/h4-8,11,14-15,22H,9-10,12-13,17H2,1-3H3,(H,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482301 (CHEMBL1170591) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(c3)C#N)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H25BrN6O/c1-17-10-21(14-29)11-18(2)24(17)34-25-23(27)15-30-26(32-25)31-22-6-8-33(9-7-22)16-20-5-3-4-19(12-20)13-28/h3-5,10-12,15,22H,6-9,16H2,1-2H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188L mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482308 (CHEMBL1169643) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C#N)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H25BrN6O/c1-17-11-21(14-29)12-18(2)24(17)34-25-23(27)15-30-26(32-25)31-22-7-9-33(10-8-22)16-20-5-3-19(13-28)4-6-20/h3-6,11-12,15,22H,7-10,16H2,1-2H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188L mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50017914 (3-(1-Ethyl-5-pyridin-3-ylmethyl-1H-pyrrol-2-yl)-2-...) Show SMILES CCn1c(Cc2cccnc2)ccc1\C=C(\C)C(O)=O Show InChI InChI=1S/C16H18N2O2/c1-3-18-14(9-12(2)16(19)20)6-7-15(18)10-13-5-4-8-17-11-13/h4-9,11H,3,10H2,1-2H3,(H,19,20)/b12-9-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of thromboxane A2 synthetase as reduced ADP-induced aggregation of human platelet rich plasma in the presence of pig aortal microsomes				J Med Chem 32: 890-7 (1989) BindingDB Entry DOI: 10.7270/Q26W993X
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482302 (CHEMBL1170378) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3C#N)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H25BrN6O/c1-17-11-19(13-28)12-18(2)24(17)34-25-23(27)15-30-26(32-25)31-22-7-9-33(10-8-22)16-21-6-4-3-5-20(21)14-29/h3-6,11-12,15,22H,7-10,16H2,1-2H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188L mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50017903 (3-(1-tert-Butyl-5-pyridin-3-ylmethyl-1H-pyrrol-3-y...) Show SMILES C\C(=C\c1cc(Cc2cccnc2)n(c1)C(C)(C)C)C(O)=O Show InChI InChI=1S/C18H22N2O2/c1-13(17(21)22)8-15-10-16(20(12-15)18(2,3)4)9-14-6-5-7-19-11-14/h5-8,10-12H,9H2,1-4H3,(H,21,22)/b13-8-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of thromboxane A2 synthetase as reduced ADP-induced aggregation of human platelet rich plasma in the presence of pig aortal microsomes				J Med Chem 32: 890-7 (1989) BindingDB Entry DOI: 10.7270/Q26W993X
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482313 (CHEMBL1170005) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)S(C)(=O)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H27BrClN5O3S/c1-16-10-18(13-29)11-17(2)24(16)36-25-22(27)14-30-26(32-25)31-20-6-8-33(9-7-20)15-19-4-5-21(12-23(19)28)37(3,34)35/h4-5,10-12,14,20H,6-9,15H2,1-3H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482307 (CHEMBL1169811) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)n1)C#N Show InChI InChI=1S/C26H29N5O3S/c1-18-14-21(16-27)15-19(2)25(18)34-24-8-11-28-26(30-24)29-22-9-12-31(13-10-22)17-20-4-6-23(7-5-20)35(3,32)33/h4-8,11,14-15,22H,9-10,12-13,17H2,1-3H3,(H,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50017905 (2-Methyl-3-(1-methyl-5-pyridin-3-ylmethyl-1H-pyrro...) Show SMILES C\C(=C\c1ccc(Cc2cccnc2)n1C)C(O)=O Show InChI InChI=1S/C15H16N2O2/c1-11(15(18)19)8-13-5-6-14(17(13)2)9-12-4-3-7-16-10-12/h3-8,10H,9H2,1-2H3,(H,18,19)/b11-8-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of thromboxane A2 synthetase as reduced ADP-induced aggregation of human platelet rich plasma in the presence of pig aortal microsomes				J Med Chem 32: 890-7 (1989) BindingDB Entry DOI: 10.7270/Q26W993X
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482302 (CHEMBL1170378) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3C#N)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H25BrN6O/c1-17-11-19(13-28)12-18(2)24(17)34-25-23(27)15-30-26(32-25)31-22-7-9-33(10-8-22)16-21-6-4-3-5-20(21)14-29/h3-6,11-12,15,22H,7-10,16H2,1-2H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482303 (CHEMBL1171241) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(C2)c2ccccc2)ncc1Br)C#N Show InChI InChI=1S/C23H22BrN5O/c1-15-10-17(12-25)11-16(2)21(15)30-22-20(24)13-26-23(28-22)27-18-8-9-29(14-18)19-6-4-3-5-7-19/h3-7,10-11,13,18H,8-9,14H2,1-2H3,(H,26,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482297 (CHEMBL1169982) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C(N)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H26BrClN6O2/c1-15-9-17(12-29)10-16(2)23(15)36-25-21(27)13-31-26(33-25)32-20-5-7-34(8-6-20)14-19-4-3-18(24(30)35)11-22(19)28/h3-4,9-11,13,20H,5-8,14H2,1-2H3,(H2,30,35)(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482304 (CHEMBL1170190) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3)CC2)ncc1Br)C#N Show InChI InChI=1S/C25H26BrN5O/c1-17-12-20(14-27)13-18(2)23(17)32-24-22(26)15-28-25(30-24)29-21-8-10-31(11-9-21)16-19-6-4-3-5-7-19/h3-7,12-13,15,21H,8-11,16H2,1-2H3,(H,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188L mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482307 (CHEMBL1169811) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)n1)C#N Show InChI InChI=1S/C26H29N5O3S/c1-18-14-21(16-27)15-19(2)25(18)34-24-8-11-28-26(30-24)29-22-9-12-31(13-10-22)17-20-4-6-23(7-5-20)35(3,32)33/h4-8,11,14-15,22H,9-10,12-13,17H2,1-3H3,(H,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188L mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM50000334 (6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-...) Show SMILES Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl |t:5| Show InChI InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of human blood platelet c-AMP phosphodiesterase				J Med Chem 35: 620-8 (1992) BindingDB Entry DOI: 10.7270/Q2PZ57SK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482310 (CHEMBL1170006) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(Cc3ccc(cc3Cl)S(N)(=O)=O)CC2)n1)C#N Show InChI InChI=1S/C25H27ClN6O3S/c1-16-11-18(14-27)12-17(2)24(16)35-23-5-8-29-25(31-23)30-20-6-9-32(10-7-20)15-19-3-4-21(13-22(19)26)36(28,33)34/h3-5,8,11-13,20H,6-7,9-10,15H2,1-2H3,(H2,28,33,34)(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482306 (CHEMBL1172334) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C(O)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H25BrClN5O3/c1-15-9-17(12-29)10-16(2)23(15)36-24-21(27)13-30-26(32-24)31-20-5-7-33(8-6-20)14-19-4-3-18(25(34)35)11-22(19)28/h3-4,9-11,13,20H,5-8,14H2,1-2H3,(H,34,35)(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188L mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482312 (CHEMBL1171331) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1)C#N Show InChI InChI=1S/C25H27N5O/c1-18-14-21(16-26)15-19(2)24(18)31-23-8-11-27-25(29-23)28-22-9-12-30(13-10-22)17-20-6-4-3-5-7-20/h3-8,11,14-15,22H,9-10,12-13,17H2,1-2H3,(H,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482298 (CHEMBL1171403) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)S(N)(=O)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C25H26BrClN6O3S/c1-15-9-17(12-28)10-16(2)23(15)36-24-21(26)13-30-25(32-24)31-19-5-7-33(8-6-19)14-18-3-4-20(11-22(18)27)37(29,34)35/h3-4,9-11,13,19H,5-8,14H2,1-2H3,(H2,29,34,35)(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482310 (CHEMBL1170006) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(Cc3ccc(cc3Cl)S(N)(=O)=O)CC2)n1)C#N Show InChI InChI=1S/C25H27ClN6O3S/c1-16-11-18(14-27)12-17(2)24(16)35-23-5-8-29-25(31-23)30-20-6-9-32(10-7-20)15-19-3-4-21(13-22(19)26)36(28,33)34/h3-5,8,11-13,20H,6-7,9-10,15H2,1-2H3,(H2,28,33,34)(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188L mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482311 (CHEMBL1171516) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2ccccc2)ncc1Br)C#N Show InChI InChI=1S/C24H24BrN5O/c1-16-12-18(14-26)13-17(2)22(16)31-23-21(25)15-27-24(29-23)28-19-8-10-30(11-9-19)20-6-4-3-5-7-20/h3-7,12-13,15,19H,8-11H2,1-2H3,(H,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482309 (CHEMBL1170018) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(Cl)cc3)CC2)ncc1Br)C#N Show InChI InChI=1S/C25H25BrClN5O/c1-16-11-19(13-28)12-17(2)23(16)33-24-22(26)14-29-25(31-24)30-21-7-9-32(10-8-21)15-18-3-5-20(27)6-4-18/h3-6,11-12,14,21H,7-10,15H2,1-2H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482297 (CHEMBL1169982) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C(N)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H26BrClN6O2/c1-15-9-17(12-29)10-16(2)23(15)36-25-21(27)13-31-26(33-25)32-20-5-7-34(8-6-20)14-19-4-3-18(24(30)35)11-22(19)28/h3-4,9-11,13,20H,5-8,14H2,1-2H3,(H2,30,35)(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482314 (CHEMBL1171404) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C#N)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H24BrClN6O/c1-16-9-19(13-30)10-17(2)24(16)35-25-22(27)14-31-26(33-25)32-21-5-7-34(8-6-21)15-20-4-3-18(12-29)11-23(20)28/h3-4,9-11,14,21H,5-8,15H2,1-2H3,(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482309 (CHEMBL1170018) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(Cl)cc3)CC2)ncc1Br)C#N Show InChI InChI=1S/C25H25BrClN5O/c1-16-11-19(13-28)12-17(2)23(16)33-24-22(26)14-29-25(31-24)30-21-7-9-32(10-8-21)15-18-3-5-20(27)6-4-18/h3-6,11-12,14,21H,7-10,15H2,1-2H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482314 (CHEMBL1171404) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C#N)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H24BrClN6O/c1-16-9-19(13-30)10-17(2)24(16)35-25-22(27)14-31-26(33-25)32-21-5-7-34(8-6-21)15-20-4-3-18(12-29)11-23(20)28/h3-4,9-11,14,21H,5-8,15H2,1-2H3,(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50262376 (6-((7-(3-chlorobenzyl)benzofuran-5-yl)methyl)pyrid...) Show SMILES Clc1cccc(Cc2cc(Cc3ccc(=O)[nH]n3)cc3ccoc23)c1 Show InChI InChI=1S/C20H15ClN2O2/c21-17-3-1-2-13(11-17)8-16-10-14(9-15-6-7-25-20(15)16)12-18-4-5-19(24)23-22-18/h1-7,9-11H,8,12H2,(H,23,24)	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	180	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 4352-4 (2008) Article DOI: 10.1016/j.bmcl.2008.06.072 BindingDB Entry DOI: 10.7270/Q2XK8FC6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482311 (CHEMBL1171516) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2ccccc2)ncc1Br)C#N Show InChI InChI=1S/C24H24BrN5O/c1-16-12-18(14-26)13-17(2)22(16)31-23-21(25)15-27-24(29-23)28-19-8-10-30(11-9-19)20-6-4-3-5-7-20/h3-7,12-13,15,19H,8-11H2,1-2H3,(H,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482298 (CHEMBL1171403) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)S(N)(=O)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C25H26BrClN6O3S/c1-15-9-17(12-28)10-16(2)23(15)36-24-21(26)13-30-25(32-24)31-19-5-7-33(8-6-19)14-18-3-4-20(11-22(18)27)37(29,34)35/h3-4,9-11,13,19H,5-8,14H2,1-2H3,(H2,29,34,35)(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188L mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482313 (CHEMBL1170005) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)S(C)(=O)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H27BrClN5O3S/c1-16-10-18(13-29)11-17(2)24(16)36-25-22(27)14-30-26(32-25)31-20-6-8-33(9-7-20)15-19-4-5-21(12-23(19)28)37(3,34)35/h4-5,10-12,14,20H,6-9,15H2,1-3H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188L mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482312 (CHEMBL1171331) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1)C#N Show InChI InChI=1S/C25H27N5O/c1-18-14-21(16-26)15-19(2)24(18)31-23-8-11-27-25(29-23)28-22-9-12-30(13-10-22)17-20-6-4-3-5-7-20/h3-8,11,14-15,22H,9-10,12-13,17H2,1-2H3,(H,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482315 (CHEMBL1171426) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(Cl)c3)CC2)ncc1Br)C#N Show InChI InChI=1S/C25H25BrClN5O/c1-16-10-19(13-28)11-17(2)23(16)33-24-22(26)14-29-25(31-24)30-21-6-8-32(9-7-21)15-18-4-3-5-20(27)12-18/h3-5,10-12,14,21H,6-9,15H2,1-2H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482315 (CHEMBL1171426) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(Cl)c3)CC2)ncc1Br)C#N Show InChI InChI=1S/C25H25BrClN5O/c1-16-10-19(13-28)11-17(2)23(16)33-24-22(26)14-29-25(31-24)30-21-6-8-32(9-7-21)15-18-4-3-5-20(27)12-18/h3-5,10-12,14,21H,6-9,15H2,1-2H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair

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