Compile Data Set for Download or QSAR

Found 243 hits with Last Name = 'anderson' and Initial = 'kd'   

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)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484029 (CHEMBL1801258) Show SMILES Clc1c(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]c1-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C24H14Cl3N7O2/c25-16-7-13(11-28)8-18(9-16)36-21-10-17(5-6-19(21)26)35-12-20-22(27)23(30-29-20)14-1-3-15(4-2-14)24-31-33-34-32-24/h1-10H,12H2,(H,29,30)(H,31,32,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484039 (CHEMBL1800087) Show SMILES Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccco3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H13Cl2N3O3/c22-14-6-13(11-24)7-17(8-14)29-21-10-16(3-4-18(21)23)28-12-15-9-19(26-25-15)20-2-1-5-27-20/h1-10H,12H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474799 (CHEMBL416690) Show SMILES Cc1ccc(CC2CCN(Cc3nc4cc(O)ccc4[nH]3)CC2)cc1 Show InChI InChI=1S/C21H25N3O/c1-15-2-4-16(5-3-15)12-17-8-10-24(11-9-17)14-21-22-19-7-6-18(25)13-20(19)23-21/h2-7,13,17,25H,8-12,14H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484030 (CHEMBL1801256) Show SMILES Clc1c(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]c1-c1ccccn1 Show InChI InChI=1S/C22H13Cl3N4O2/c23-14-7-13(11-26)8-16(9-14)31-20-10-15(4-5-17(20)24)30-12-19-21(25)22(29-28-19)18-3-1-2-6-27-18/h1-10H,12H2,(H,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					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	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484030 (CHEMBL1801256) Show SMILES Clc1c(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]c1-c1ccccn1 Show InChI InChI=1S/C22H13Cl3N4O2/c23-14-7-13(11-26)8-16(9-14)31-20-10-15(4-5-17(20)24)30-12-19-21(25)22(29-28-19)18-3-1-2-6-27-18/h1-10H,12H2,(H,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484045 (CHEMBL1801257) Show SMILES Clc1c(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]c1-c1ccncc1 Show InChI InChI=1S/C22H13Cl3N4O2/c23-15-7-13(11-26)8-17(9-15)31-20-10-16(1-2-18(20)24)30-12-19-21(25)22(29-28-19)14-3-5-27-6-4-14/h1-10H,12H2,(H,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant by electrochemiluminescent assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484045 (CHEMBL1801257) Show SMILES Clc1c(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]c1-c1ccncc1 Show InChI InChI=1S/C22H13Cl3N4O2/c23-15-7-13(11-26)8-17(9-15)31-20-10-16(1-2-18(20)24)30-12-19-21(25)22(29-28-19)14-3-5-27-6-4-14/h1-10H,12H2,(H,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484029 (CHEMBL1801258) Show SMILES Clc1c(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]c1-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C24H14Cl3N7O2/c25-16-7-13(11-28)8-18(9-16)36-21-10-17(5-6-19(21)26)35-12-20-22(27)23(30-29-20)14-1-3-15(4-2-14)24-31-33-34-32-24/h1-10H,12H2,(H,29,30)(H,31,32,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant by electrochemiluminescent assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50124914 (CHEMBL161180 | N-(3,5-Dichloro-benzyl)-4-trifluoro...) Show SMILES NC(=NCc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2| Show InChI InChI=1S/C15H11Cl2F3N2O/c16-11-5-9(6-12(17)7-11)8-22-14(21)10-1-3-13(4-2-10)23-15(18,19)20/h1-7H,8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells				Bioorg Med Chem Lett 13: 697-700 (2003) BindingDB Entry DOI: 10.7270/Q2FX78TP
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484030 (CHEMBL1801256) Show SMILES Clc1c(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]c1-c1ccccn1 Show InChI InChI=1S/C22H13Cl3N4O2/c23-14-7-13(11-26)8-16(9-14)31-20-10-15(4-5-17(20)24)30-12-19-21(25)22(29-28-19)18-3-1-2-6-27-18/h1-10H,12H2,(H,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant by electrochemiluminescent assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474791 (CHEMBL65693) Show SMILES CS(=O)(=O)Nc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C21H19N3O3S/c1-28(25,26)24-16-9-12-19-20(14-16)23-21(22-19)13-15-7-10-18(11-8-15)27-17-5-3-2-4-6-17/h2-12,14,24H,13H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484032 (CHEMBL1801231) Show SMILES Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccncc3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C22H14Cl2N4O2/c23-16-7-14(12-25)8-19(9-16)30-22-11-18(1-2-20(22)24)29-13-17-10-21(28-27-17)15-3-5-26-6-4-15/h1-11H,13H2,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50124885 ((E)-N-(2-Methoxy-benzyl)-3-phenyl-acrylamidine | C...) Show SMILES COc1ccccc1CN=C(N)C=Cc1ccccc1 |w:9.9,13.14| Show InChI InChI=1S/C17H18N2O/c1-20-16-10-6-5-9-15(16)13-19-17(18)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H2,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells				Bioorg Med Chem Lett 13: 697-700 (2003) BindingDB Entry DOI: 10.7270/Q2FX78TP
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484045 (CHEMBL1801257) Show SMILES Clc1c(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]c1-c1ccncc1 Show InChI InChI=1S/C22H13Cl3N4O2/c23-15-7-13(11-26)8-17(9-15)31-20-10-16(1-2-18(20)24)30-12-19-21(25)22(29-28-19)14-3-5-27-6-4-14/h1-10H,12H2,(H,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484029 (CHEMBL1801258) Show SMILES Clc1c(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]c1-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C24H14Cl3N7O2/c25-16-7-13(11-28)8-18(9-16)36-21-10-17(5-6-19(21)26)35-12-20-22(27)23(30-29-20)14-1-3-15(4-2-14)24-31-33-34-32-24/h1-10H,12H2,(H,29,30)(H,31,32,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484040 (CHEMBL1801228) Show SMILES Cn1cc(cn1)-c1cc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]1 Show InChI InChI=1S/C21H15Cl2N5O2/c1-28-11-14(10-25-28)20-7-16(26-27-20)12-29-17-2-3-19(23)21(8-17)30-18-5-13(9-24)4-15(22)6-18/h2-8,10-11H,12H2,1H3,(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484031 (CHEMBL1801255) Show SMILES Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccc(cc3)C#N)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C24H14Cl2N4O2/c25-18-7-16(13-28)8-21(9-18)32-24-11-20(5-6-22(24)26)31-14-19-10-23(30-29-19)17-3-1-15(12-27)2-4-17/h1-11H,14H2,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474809 (CHEMBL65454) Show SMILES Oc1ccc2[nH]c(CN3CCC(Cc4c(F)cccc4F)CC3)nc2c1 Show InChI InChI=1S/C20H21F2N3O/c21-16-2-1-3-17(22)15(16)10-13-6-8-25(9-7-13)12-20-23-18-5-4-14(26)11-19(18)24-20/h1-5,11,13,26H,6-10,12H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474789 (CHEMBL68134) Show SMILES Oc1ccc2[nH]c(CN3CCC(Cc4ccccc4F)CC3)nc2c1 Show InChI InChI=1S/C20H22FN3O/c21-17-4-2-1-3-15(17)11-14-7-9-24(10-8-14)13-20-22-18-6-5-16(25)12-19(18)23-20/h1-6,12,14,25H,7-11,13H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484022 (CHEMBL1801223) Show SMILES Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccccc3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C23H15Cl2N3O2/c24-17-8-15(13-26)9-20(10-17)30-23-12-19(6-7-21(23)25)29-14-18-11-22(28-27-18)16-4-2-1-3-5-16/h1-12H,14H2,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50204862 (CHEMBL436521 | N-(2-((4-benzylpiperidin-1-yl)methy...) Show SMILES CS(=O)(=O)Nc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1 Show InChI InChI=1S/C21H26N4O2S/c1-28(26,27)24-18-7-8-19-20(14-18)23-21(22-19)15-25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14,17,24H,9-13,15H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474796 (CHEMBL64941) Show SMILES Oc1ccc2[nH]c(CN3CCC(Cc4ccc(F)cc4)CC3)nc2c1 Show InChI InChI=1S/C20H22FN3O/c21-16-3-1-14(2-4-16)11-15-7-9-24(10-8-15)13-20-22-18-6-5-17(25)12-19(18)23-20/h1-6,12,15,25H,7-11,13H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484023 (CHEMBL1801230) Show SMILES Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3cccnc3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C22H14Cl2N4O2/c23-16-6-14(11-25)7-19(8-16)30-22-10-18(3-4-20(22)24)29-13-17-9-21(28-27-17)15-2-1-5-26-12-15/h1-10,12H,13H2,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50124909 (CHEMBL159744 | N-(3,5-Dimethyl-benzyl)-4-trifluoro...) Show SMILES Cc1cc(C)cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1 |w:8.7| Show InChI InChI=1S/C17H17F3N2O/c1-11-7-12(2)9-13(8-11)10-22-16(21)14-3-5-15(6-4-14)23-17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells				Bioorg Med Chem Lett 13: 697-700 (2003) BindingDB Entry DOI: 10.7270/Q2FX78TP
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50143890 (2-(4-Benzyl-piperidin-1-ylmethyl)-3H-benzoimidazol...) Show SMILES Oc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1 Show InChI InChI=1S/C20H23N3O/c24-17-6-7-18-19(13-17)22-20(21-18)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16,24H,8-12,14H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484039 (CHEMBL1800087) Show SMILES Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccco3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H13Cl2N3O3/c22-14-6-13(11-24)7-17(8-14)29-21-10-16(3-4-18(21)23)28-12-15-9-19(26-25-15)20-2-1-5-27-20/h1-10H,12H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484024 (CHEMBL1801227) Show SMILES Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3cccs3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H13Cl2N3O2S/c22-14-6-13(11-24)7-17(8-14)28-20-10-16(3-4-18(20)23)27-12-15-9-19(26-25-15)21-2-1-5-29-21/h1-10H,12H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484043 (CHEMBL1801262) Show SMILES COc1ccc(cc1)-c1noc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n1 Show InChI InChI=1S/C23H15Cl2N3O4/c1-29-17-4-2-15(3-5-17)23-27-22(32-28-23)13-30-18-6-7-20(25)21(11-18)31-19-9-14(12-26)8-16(24)10-19/h2-11H,13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484035 (CHEMBL1801266) Show SMILES Clc1ccc(cc1)-c1cnc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)o1 Show InChI InChI=1S/C23H13Cl3N2O3/c24-16-3-1-15(2-4-16)22-12-28-23(31-22)13-29-18-5-6-20(26)21(10-18)30-19-8-14(11-27)7-17(25)9-19/h1-10,12H,13H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484022 (CHEMBL1801223) Show SMILES Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccccc3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C23H15Cl2N3O2/c24-17-8-15(13-26)9-20(10-17)30-23-12-19(6-7-21(23)25)29-14-18-11-22(28-27-18)16-4-2-1-3-5-16/h1-12H,14H2,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484026 (CHEMBL1801225) Show SMILES Clc1cc(Oc2cc(OCc3cc(on3)-c3ccccc3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C23H14Cl2N2O3/c24-17-8-15(13-26)9-20(10-17)29-23-12-19(6-7-21(23)25)28-14-18-11-22(30-27-18)16-4-2-1-3-5-16/h1-12H,14H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474808 (CHEMBL65314) Show SMILES CCS(=O)(=O)Nc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C22H21N3O3S/c1-2-29(26,27)25-17-10-13-20-21(15-17)24-22(23-20)14-16-8-11-19(12-9-16)28-18-6-4-3-5-7-18/h3-13,15,25H,2,14H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484040 (CHEMBL1801228) Show SMILES Cn1cc(cn1)-c1cc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]1 Show InChI InChI=1S/C21H15Cl2N5O2/c1-28-11-14(10-25-28)20-7-16(26-27-20)12-29-17-2-3-19(23)21(8-17)30-18-5-13(9-24)4-15(22)6-18/h2-8,10-11H,12H2,1H3,(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant by electrochemiluminescent assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474792 (CHEMBL63200) Show SMILES Oc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C20H16N2O2/c23-15-8-11-18-19(13-15)22-20(21-18)12-14-6-9-17(10-7-14)24-16-4-2-1-3-5-16/h1-11,13,23H,12H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484033 (CHEMBL1801229) Show SMILES Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccccn3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C22H14Cl2N4O2/c23-15-7-14(12-25)8-18(9-15)30-22-11-17(4-5-19(22)24)29-13-16-10-21(28-27-16)20-3-1-2-6-26-20/h1-11H,13H2,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484031 (CHEMBL1801255) Show SMILES Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccc(cc3)C#N)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C24H14Cl2N4O2/c25-18-7-16(13-28)8-21(9-18)32-24-11-20(5-6-22(24)26)31-14-19-10-23(30-29-19)17-3-1-15(12-27)2-4-17/h1-11H,14H2,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50124923 (CHEMBL162080 | N-(3,5-Dimethyl-benzyl)-4-trifluoro...) Show SMILES Cc1cc(C)cc(CN=C(N)c2ccc(cc2)C(F)(F)F)c1 |w:8.7| Show InChI InChI=1S/C17H17F3N2/c1-11-7-12(2)9-13(8-11)10-22-16(21)14-3-5-15(6-4-14)17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells				Bioorg Med Chem Lett 13: 697-700 (2003) BindingDB Entry DOI: 10.7270/Q2FX78TP
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484040 (CHEMBL1801228) Show SMILES Cn1cc(cn1)-c1cc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]1 Show InChI InChI=1S/C21H15Cl2N5O2/c1-28-11-14(10-25-28)20-7-16(26-27-20)12-29-17-2-3-19(23)21(8-17)30-18-5-13(9-24)4-15(22)6-18/h2-8,10-11H,12H2,1H3,(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474790 (CHEMBL303832) Show SMILES Oc1ccc2[nH]c(CN3CCC(Cc4cccc(F)c4)CC3)nc2c1 Show InChI InChI=1S/C20H22FN3O/c21-16-3-1-2-15(11-16)10-14-6-8-24(9-7-14)13-20-22-18-5-4-17(25)12-19(18)23-20/h1-5,11-12,14,25H,6-10,13H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484032 (CHEMBL1801231) Show SMILES Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccncc3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C22H14Cl2N4O2/c23-16-7-14(12-25)8-19(9-16)30-22-11-18(1-2-20(22)24)29-13-17-10-21(28-27-17)15-3-5-26-6-4-15/h1-11H,13H2,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484035 (CHEMBL1801266) Show SMILES Clc1ccc(cc1)-c1cnc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)o1 Show InChI InChI=1S/C23H13Cl3N2O3/c24-16-3-1-15(2-4-16)22-12-28-23(31-22)13-29-18-5-6-20(26)21(10-18)30-19-8-14(11-27)7-17(25)9-19/h1-10,12H,13H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484024 (CHEMBL1801227) Show SMILES Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3cccs3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H13Cl2N3O2S/c22-14-6-13(11-24)7-17(8-14)28-20-10-16(3-4-18(20)23)27-12-15-9-19(26-25-15)21-2-1-5-29-21/h1-10H,12H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484032 (CHEMBL1801231) Show SMILES Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccncc3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C22H14Cl2N4O2/c23-16-7-14(12-25)8-19(9-16)30-22-11-18(1-2-20(22)24)29-13-17-10-21(28-27-17)15-3-5-26-6-4-15/h1-11H,13H2,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484036 (CHEMBL1801265) Show SMILES Clc1ccc(cc1)-c1nnc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)o1 Show InChI InChI=1S/C22H12Cl3N3O3/c23-15-3-1-14(2-4-15)22-28-27-21(31-22)12-29-17-5-6-19(25)20(10-17)30-18-8-13(11-26)7-16(24)9-18/h1-10H,12H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484023 (CHEMBL1801230) Show SMILES Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3cccnc3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C22H14Cl2N4O2/c23-16-6-14(11-25)7-19(8-16)30-22-10-18(3-4-20(22)24)29-13-17-9-21(28-27-17)15-2-1-5-26-12-15/h1-10,12H,13H2,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484028 (CHEMBL1801263) Show SMILES COc1ccc(cc1)-c1nnc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)o1 Show InChI InChI=1S/C23H15Cl2N3O4/c1-29-17-4-2-15(3-5-17)23-28-27-22(32-23)13-30-18-6-7-20(25)21(11-18)31-19-9-14(12-26)8-16(24)10-19/h2-11H,13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484041 (CHEMBL1801254) Show SMILES [O-][n+]1ccc(cc1)-c1cc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]1 Show InChI InChI=1S/C22H14Cl2N4O3/c23-16-7-14(12-25)8-19(9-16)31-22-11-18(1-2-20(22)24)30-13-17-10-21(27-26-17)15-3-5-28(29)6-4-15/h1-11H,13H2,(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484026 (CHEMBL1801225) Show SMILES Clc1cc(Oc2cc(OCc3cc(on3)-c3ccccc3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C23H14Cl2N2O3/c24-17-8-15(13-26)9-20(10-17)29-23-12-19(6-7-21(23)25)28-14-18-11-22(30-27-18)16-4-2-1-3-5-16/h1-12H,14H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 20: 4328-32 (2010) Article DOI: 10.1016/j.bmcl.2010.06.083 BindingDB Entry DOI: 10.7270/Q2TH8QJ4
					More data for this Ligand-Target Pair

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