Compile Data Set for Download or QSAR

Found 638 hits with Last Name = 'flynn' and Initial = 'j'   

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
Apelin receptor (Homo sapiens (Human))	BDBM50583259 (CHEMBL5094438) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCN(C\C=C\C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)S(=O)(=O)c1ccccc1[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,t:34| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50479471 (CHEMBL491019 | MK-1107) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ncccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C20H12Cl2N4O2/c21-13-6-12(10-23)7-15(8-13)28-19-9-14(3-4-17(19)22)27-11-18-16-2-1-5-24-20(16)26-25-18/h1-9H,11H2,(H,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
					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
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 protein (Human immunodeficiency virus 1)	BDBM50479470 (CHEMBL489586 | MK-4965) Show SMILES Nc1ccc2c(COc3ccc(Cl)c(Oc4cc(Cl)cc(c4)C#N)c3)n[nH]c2n1 Show InChI InChI=1S/C20H13Cl2N5O2/c21-12-5-11(9-23)6-14(7-12)29-18-8-13(1-3-16(18)22)28-10-17-15-2-4-19(24)25-20(15)27-26-17/h1-8H,10H2,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
					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)	BDBM50484635 (CHEMBL1939500) Show SMILES Clc1cc(Oc2c(Cl)ccc3n(Cc4n[nH]c5ncccc45)nnc23)cc(c1)C#N Show InChI InChI=1S/C20H11Cl2N7O/c21-12-6-11(9-23)7-13(8-12)30-19-15(22)3-4-17-18(19)26-28-29(17)10-16-14-2-1-5-24-20(14)27-25-16/h1-8H,10H2,(H,24,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
					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 protein (Human immunodeficiency virus 1)	BDBM50484632 (Mk-6186 | Mk6186) Show SMILES Clc1cc(Oc2c(Cl)ccc3n(Cc4n[nH]c5ncccc45)ncc23)cc(c1)C#N Show InChI InChI=1S/C21H12Cl2N6O/c22-13-6-12(9-24)7-14(8-13)30-20-16-10-26-29(19(16)4-3-17(20)23)11-18-15-2-1-5-25-21(15)28-27-18/h1-8,10H,11H2,(H,25,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583256 (CHEMBL5087847) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583266 (CHEMBL5091501) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)C\C=C/C[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cccc2ccccc12)C(O)=O |r,c:22| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					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
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
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)	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
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
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 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 (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
Apelin receptor (Homo sapiens (Human))	BDBM50583258 (CHEMBL5078149) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1Cc2cncn2C\C=C\C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,t:38| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484629 (CHEMBL1939503) Show SMILES Nc1ccc2c(Cn3nnc4c(Oc5cc(Cl)cc(c5)C#N)c(Cl)ccc34)n[nH]c2n1 Show InChI InChI=1S/C20H12Cl2N8O/c21-11-5-10(8-23)6-12(7-11)31-19-14(22)2-3-16-18(19)27-29-30(16)9-15-13-1-4-17(24)25-20(13)28-26-15/h1-7H,9H2,(H3,24,25,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
					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
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
Apelin receptor (Homo sapiens (Human))	BDBM50583261 (CHEMBL5092962) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCN(C)C\C=C\C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,t:35| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484630 (CHEMBL1939502 | MK-7445) Show SMILES Nc1ccc2c(Cn3ncc4c(Oc5cc(Cl)cc(c5)C#N)c(Cl)ccc34)n[nH]c2n1 Show InChI InChI=1S/C21H13Cl2N7O/c22-12-5-11(8-24)6-13(7-12)31-20-15-9-26-30(18(15)3-2-16(20)23)10-17-14-1-4-19(25)27-21(14)29-28-17/h1-7,9H,10H2,(H3,25,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583263 (CHEMBL5091081) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C\C=C/C[C@H](NC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:31| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					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 (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 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
Apelin receptor (Homo sapiens (Human))	BDBM50583260 (CHEMBL5072626) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCNC\C=C\C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,t:34| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					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
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
Apelin receptor (Homo sapiens (Human))	BDBM50244534 (CHEMBL4083079) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C\C=C/C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:31| Show InChI InChI=1S/C67H106N20O16/c1-4-5-19-46(64(101)87-33-16-26-51(87)63(100)84-48(65(102)103)35-39-17-7-6-8-18-39)82-62(99)50-25-15-32-86(50)53(90)36-75-54(91)40(22-11-12-29-68)77-55(92)42-21-10-9-20-41(78-57(94)43(23-13-30-73-66(69)70)80-59(96)45-27-28-52(89)76-45)56(93)79-44(24-14-31-74-67(71)72)58(95)83-47(34-38(2)3)60(97)85-49(37-88)61(98)81-42/h6-10,17-18,38,40-51,88H,4-5,11-16,19-37,68H2,1-3H3,(H,75,91)(H,76,89)(H,77,92)(H,78,94)(H,79,93)(H,80,96)(H,81,98)(H,82,99)(H,83,95)(H,84,100)(H,85,97)(H,102,103)(H4,69,70,73)(H4,71,72,74)/b10-9-/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					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
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484624 (CHEMBL1939510) Show SMILES Nc1cc(Cl)c(Oc2cc(Cl)cc(c2)C#N)cc1NCc1n[nH]c2ncccc12 Show InChI InChI=1S/C20H14Cl2N6O/c21-12-4-11(9-23)5-13(6-12)29-19-8-17(16(24)7-15(19)22)26-10-18-14-2-1-3-25-20(14)28-27-18/h1-8,26H,10,24H2,(H,25,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
					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)	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
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484631 (CHEMBL1939501) Show SMILES NCc1cc(Cl)cc(Oc2c(Cl)ccc3n(Cc4n[nH]c5ncccc45)nnc23)c1Cl Show InChI InChI=1S/C20H14Cl3N7O/c21-11-6-10(8-24)17(23)16(7-11)31-19-13(22)3-4-15-18(19)27-29-30(15)9-14-12-2-1-5-25-20(12)28-26-14/h1-7H,8-9,24H2,(H,25,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583257 (CHEMBL5080649) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					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
Apelin receptor (Homo sapiens (Human))	BDBM50583262 (CHEMBL5079665) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C\C=C/C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:31| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					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

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