Compile Data Set for Download or QSAR

Found 131 hits with Last Name = 'mckeown' and Initial = 'sc'   

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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50411560 (CHEMBL240436) Show SMILES CCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C24H25ClN2O3S/c1-3-20-6-4-5-7-23(20)27(31(29,30)22-14-8-18(2)9-15-22)17-24(28)26-16-19-10-12-21(25)13-11-19/h4-15H,3,16-17H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 17: 1750-4 (2007) Article DOI: 10.1016/j.bmcl.2006.12.060 BindingDB Entry DOI: 10.7270/Q2SB470M
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50411560 (CHEMBL240436) Show SMILES CCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C24H25ClN2O3S/c1-3-20-6-4-5-7-23(20)27(31(29,30)22-14-8-18(2)9-15-22)17-24(28)26-16-19-10-12-21(25)13-11-19/h4-15H,3,16-17H2,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of FP receptor				Bioorg Med Chem Lett 17: 1750-4 (2007) Article DOI: 10.1016/j.bmcl.2006.12.060 BindingDB Entry DOI: 10.7270/Q2SB470M
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50411560 (CHEMBL240436) Show SMILES CCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C24H25ClN2O3S/c1-3-20-6-4-5-7-23(20)27(31(29,30)22-14-8-18(2)9-15-22)17-24(28)26-16-19-10-12-21(25)13-11-19/h4-15H,3,16-17H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 17: 1750-4 (2007) Article DOI: 10.1016/j.bmcl.2006.12.060 BindingDB Entry DOI: 10.7270/Q2SB470M
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50191163 (1-(2-(benzyloxy)-5-bromobenzyl)-5-methyl-1H-pyrazo...) Show SMILES Cc1cc(nn1Cc1cc(Br)ccc1OCc1ccccc1)C(O)=O Show InChI InChI=1S/C19H17BrN2O3/c1-13-9-17(19(23)24)21-22(13)11-15-10-16(20)7-8-18(15)25-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP450 1A2				Bioorg Med Chem Lett 16: 4767-71 (2006) Article DOI: 10.1016/j.bmcl.2006.06.086 BindingDB Entry DOI: 10.7270/Q2MC8ZN4
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50027852 (CHEMBL3338677) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at alpha-1A adrenergic receptor (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in presence o...				Bioorg Med Chem Lett 24: 4871-5 (2014) Article DOI: 10.1016/j.bmcl.2014.08.045 BindingDB Entry DOI: 10.7270/Q2D50PH2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50027852 (CHEMBL3338677) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at CB1 receptor (unknown origin) expressed in rat CHEM-1 cells after 15 mins by calcium flux/FLIPR assay in presence of CP55940				Bioorg Med Chem Lett 24: 4871-5 (2014) Article DOI: 10.1016/j.bmcl.2014.08.045 BindingDB Entry DOI: 10.7270/Q2D50PH2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50027852 (CHEMBL3338677) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at 5HT2B receptor (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in presence of BW723C86				Bioorg Med Chem Lett 24: 4871-5 (2014) Article DOI: 10.1016/j.bmcl.2014.08.045 BindingDB Entry DOI: 10.7270/Q2D50PH2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50027852 (CHEMBL3338677) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at 5HT2A receptor (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in presence of 5HT				Bioorg Med Chem Lett 24: 4871-5 (2014) Article DOI: 10.1016/j.bmcl.2014.08.045 BindingDB Entry DOI: 10.7270/Q2D50PH2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50027852 (CHEMBL3338677) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at 5HT1A receptor (unknown origin) expressed in HeLa cells after 15 mins by calcium flux/FLIPR assay in presence of R-(+)-8-OH-DP...				Bioorg Med Chem Lett 24: 4871-5 (2014) Article DOI: 10.1016/j.bmcl.2014.08.045 BindingDB Entry DOI: 10.7270/Q2D50PH2
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50027852 (CHEMBL3338677) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at alpha-2A adrenergic receptor (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in presence o...				Bioorg Med Chem Lett 24: 4871-5 (2014) Article DOI: 10.1016/j.bmcl.2014.08.045 BindingDB Entry DOI: 10.7270/Q2D50PH2
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50027852 (CHEMBL3338677) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at thromboxane A2 receptor (unknown origin) expressed in HEK293-EBNA cells after 15 mins by calcium flux/FLIPR assay in presence ...				Bioorg Med Chem Lett 24: 4871-5 (2014) Article DOI: 10.1016/j.bmcl.2014.08.045 BindingDB Entry DOI: 10.7270/Q2D50PH2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50027852 (CHEMBL3338677) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at muscarinic acetylcholine receptor M2 (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in pr...				Bioorg Med Chem Lett 24: 4871-5 (2014) Article DOI: 10.1016/j.bmcl.2014.08.045 BindingDB Entry DOI: 10.7270/Q2D50PH2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50027852 (CHEMBL3338677) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at D1A receptor (unknown origin) expressed in CHOK1 cells after 5 mins by HTRF cAMP immunoassay in presence of cAMP/SKF38393				Bioorg Med Chem Lett 24: 4871-5 (2014) Article DOI: 10.1016/j.bmcl.2014.08.045 BindingDB Entry DOI: 10.7270/Q2D50PH2
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50411560 (CHEMBL240436) Show SMILES CCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C24H25ClN2O3S/c1-3-20-6-4-5-7-23(20)27(31(29,30)22-14-8-18(2)9-15-22)17-24(28)26-16-19-10-12-21(25)13-11-19/h4-15H,3,16-17H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 17: 1750-4 (2007) Article DOI: 10.1016/j.bmcl.2006.12.060 BindingDB Entry DOI: 10.7270/Q2SB470M
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50191163 (1-(2-(benzyloxy)-5-bromobenzyl)-5-methyl-1H-pyrazo...) Show SMILES Cc1cc(nn1Cc1cc(Br)ccc1OCc1ccccc1)C(O)=O Show InChI InChI=1S/C19H17BrN2O3/c1-13-9-17(19(23)24)21-22(13)11-15-10-16(20)7-8-18(15)25-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP450 2C19				Bioorg Med Chem Lett 16: 4767-71 (2006) Article DOI: 10.1016/j.bmcl.2006.06.086 BindingDB Entry DOI: 10.7270/Q2MC8ZN4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50191163 (1-(2-(benzyloxy)-5-bromobenzyl)-5-methyl-1H-pyrazo...) Show SMILES Cc1cc(nn1Cc1cc(Br)ccc1OCc1ccccc1)C(O)=O Show InChI InChI=1S/C19H17BrN2O3/c1-13-9-17(19(23)24)21-22(13)11-15-10-16(20)7-8-18(15)25-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP450 3A4				Bioorg Med Chem Lett 16: 4767-71 (2006) Article DOI: 10.1016/j.bmcl.2006.06.086 BindingDB Entry DOI: 10.7270/Q2MC8ZN4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50191163 (1-(2-(benzyloxy)-5-bromobenzyl)-5-methyl-1H-pyrazo...) Show SMILES Cc1cc(nn1Cc1cc(Br)ccc1OCc1ccccc1)C(O)=O Show InChI InChI=1S/C19H17BrN2O3/c1-13-9-17(19(23)24)21-22(13)11-15-10-16(20)7-8-18(15)25-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP450 2C9				Bioorg Med Chem Lett 16: 4767-71 (2006) Article DOI: 10.1016/j.bmcl.2006.06.086 BindingDB Entry DOI: 10.7270/Q2MC8ZN4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50191163 (1-(2-(benzyloxy)-5-bromobenzyl)-5-methyl-1H-pyrazo...) Show SMILES Cc1cc(nn1Cc1cc(Br)ccc1OCc1ccccc1)C(O)=O Show InChI InChI=1S/C19H17BrN2O3/c1-13-9-17(19(23)24)21-22(13)11-15-10-16(20)7-8-18(15)25-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP450 2D6				Bioorg Med Chem Lett 16: 4767-71 (2006) Article DOI: 10.1016/j.bmcl.2006.06.086 BindingDB Entry DOI: 10.7270/Q2MC8ZN4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50411560 (CHEMBL240436) Show SMILES CCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C24H25ClN2O3S/c1-3-20-6-4-5-7-23(20)27(31(29,30)22-14-8-18(2)9-15-22)17-24(28)26-16-19-10-12-21(25)13-11-19/h4-15H,3,16-17H2,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 17: 1750-4 (2007) Article DOI: 10.1016/j.bmcl.2006.12.060 BindingDB Entry DOI: 10.7270/Q2SB470M
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22496 (3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...) Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22497 (2-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)cyclop...) Show SMILES OC(=O)C1CC1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C23H21NO3/c25-23(26)22-14-21(22)17-9-11-18(12-10-17)24-15-16-5-4-8-20(13-16)27-19-6-2-1-3-7-19/h1-13,21-22,24H,14-15H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22498 (3-(3-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...) Show SMILES OC(=O)CCc1cccc(NCc2cccc(Oc3ccccc3)c2)c1 Show InChI InChI=1S/C22H21NO3/c24-22(25)13-12-17-6-4-8-19(14-17)23-16-18-7-5-11-21(15-18)26-20-9-2-1-3-10-20/h1-11,14-15,23H,12-13,16H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	398	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22499 (4-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)butano...) Show SMILES OC(=O)CCCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C23H23NO3/c25-23(26)11-5-6-18-12-14-20(15-13-18)24-17-19-7-4-10-22(16-19)27-21-8-2-1-3-9-21/h1-4,7-10,12-16,24H,5-6,11,17H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22500 (2-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...) Show SMILES CC(C(O)=O)c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C22H21NO3/c1-16(22(24)25)18-10-12-19(13-11-18)23-15-17-6-5-9-21(14-17)26-20-7-3-2-4-8-20/h2-14,16,23H,15H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.66E+4	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22501 (2-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)acetic...) Show SMILES OC(=O)Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C21H19NO3/c23-21(24)14-16-9-11-18(12-10-16)22-15-17-5-4-8-20(13-17)25-19-6-2-1-3-7-19/h1-13,22H,14-15H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.98E+3	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22502 (3-(4-{[(4-phenylphenyl)methyl]amino}phenyl)propano...) Show SMILES OC(=O)CCc1ccc(NCc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C22H21NO2/c24-22(25)15-10-17-8-13-21(14-9-17)23-16-18-6-11-20(12-7-18)19-4-2-1-3-5-19/h1-9,11-14,23H,10,15-16H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22503 (2-(4-{[(4-phenylphenyl)methyl]amino}phenyl)cyclopr...) Show SMILES OC(=O)C1CC1c1ccc(NCc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H21NO2/c25-23(26)22-14-21(22)19-10-12-20(13-11-19)24-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,21-22,24H,14-15H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22504 (3-(3-{[(4-phenylphenyl)methyl]amino}phenyl)propano...) Show SMILES OC(=O)CCc1cccc(NCc2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C22H21NO2/c24-22(25)14-11-17-5-4-8-21(15-17)23-16-18-9-12-20(13-10-18)19-6-2-1-3-7-19/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22505 (4-(4-{[(4-phenylphenyl)methyl]amino}phenyl)butanoi...) Show SMILES OC(=O)CCCc1ccc(NCc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H23NO2/c25-23(26)8-4-5-18-11-15-22(16-12-18)24-17-19-9-13-21(14-10-19)20-6-2-1-3-7-20/h1-3,6-7,9-16,24H,4-5,8,17H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.59E+3	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22506 (2-(4-{[(4-phenylphenyl)methyl]amino}phenyl)propano...) Show SMILES CC(C(O)=O)c1ccc(NCc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C22H21NO2/c1-16(22(24)25)18-11-13-21(14-12-18)23-15-17-7-9-20(10-8-17)19-5-3-2-4-6-19/h2-14,16,23H,15H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.16E+4	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22507 (2-(4-{[(4-phenylphenyl)methyl]amino}phenyl)acetic ...) Show SMILES OC(=O)Cc1ccc(NCc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C21H19NO2/c23-21(24)14-16-8-12-20(13-9-16)22-15-17-6-10-19(11-7-17)18-4-2-1-3-5-18/h1-13,22H,14-15H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.23E+4	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22508 (3-(4-{[(3,4-dichlorophenyl)methyl]amino}phenyl)pro...) Show SMILES OC(=O)CCc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C16H15Cl2NO2/c17-14-7-3-12(9-15(14)18)10-19-13-5-1-11(2-6-13)4-8-16(20)21/h1-3,5-7,9,19H,4,8,10H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22509 (3-{4-[(naphthalen-2-ylmethyl)amino]phenyl}propanoi...) Show SMILES OC(=O)CCc1ccc(NCc2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C20H19NO2/c22-20(23)12-8-15-6-10-19(11-7-15)21-14-16-5-9-17-3-1-2-4-18(17)13-16/h1-7,9-11,13,21H,8,12,14H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	794	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22510 (3-(4-{[(3-bromophenyl)methyl]amino}phenyl)propanoi...) Show SMILES OC(=O)CCc1ccc(NCc2cccc(Br)c2)cc1 Show InChI InChI=1S/C16H16BrNO2/c17-14-3-1-2-13(10-14)11-18-15-7-4-12(5-8-15)6-9-16(19)20/h1-5,7-8,10,18H,6,9,11H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	794	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22511 (3-(4-{[(5-chlorothiophen-2-yl)methyl]amino}phenyl)...) Show SMILES OC(=O)CCc1ccc(NCc2ccc(Cl)s2)cc1 Show InChI InChI=1S/C14H14ClNO2S/c15-13-7-6-12(19-13)9-16-11-4-1-10(2-5-11)3-8-14(17)18/h1-2,4-7,16H,3,8-9H2,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22512 (3-[4-({[4-(trifluoromethyl)phenyl]methyl}amino)phe...) Show SMILES OC(=O)CCc1ccc(NCc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C17H16F3NO2/c18-17(19,20)14-6-1-13(2-7-14)11-21-15-8-3-12(4-9-15)5-10-16(22)23/h1-4,6-9,21H,5,10-11H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22513 (3-(4-{[(2-chlorophenyl)methyl]amino}phenyl)propano...) Show SMILES OC(=O)CCc1ccc(NCc2ccccc2Cl)cc1 Show InChI InChI=1S/C16H16ClNO2/c17-15-4-2-1-3-13(15)11-18-14-8-5-12(6-9-14)7-10-16(19)20/h1-6,8-9,18H,7,10-11H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.98E+3	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22514 (3-(4-{[(4-methylphenyl)methyl]amino}phenyl)propano...) Show SMILES Cc1ccc(CNc2ccc(CCC(O)=O)cc2)cc1 Show InChI InChI=1S/C17H19NO2/c1-13-2-4-15(5-3-13)12-18-16-9-6-14(7-10-16)8-11-17(19)20/h2-7,9-10,18H,8,11-12H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.98E+3	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22515 (3-(4-{[(3-fluorophenyl)methyl]amino}phenyl)propano...) Show SMILES OC(=O)CCc1ccc(NCc2cccc(F)c2)cc1 Show InChI InChI=1S/C16H16FNO2/c17-14-3-1-2-13(10-14)11-18-15-7-4-12(5-8-15)6-9-16(19)20/h1-5,7-8,10,18H,6,9,11H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22516 (3-[4-({[2-chloro-5-(trifluoromethyl)pyridin-3-yl]m...) Show SMILES OC(=O)CCc1ccc(NCc2cc(cnc2Cl)C(F)(F)F)cc1 Show InChI InChI=1S/C16H14ClF3N2O2/c17-15-11(7-12(9-22-15)16(18,19)20)8-21-13-4-1-10(2-5-13)3-6-14(23)24/h1-2,4-5,7,9,21H,3,6,8H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22517 (3-[4-(benzylamino)phenyl]propanoic acid | carboxyl...) Show SMILES OC(=O)CCc1ccc(NCc2ccccc2)cc1 Show InChI InChI=1S/C16H17NO2/c18-16(19)11-8-13-6-9-15(10-7-13)17-12-14-4-2-1-3-5-14/h1-7,9-10,17H,8,11-12H2,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22518 (3-{4-[(pyridin-3-ylmethyl)amino]phenyl}propanoic a...) Show SMILES OC(=O)CCc1ccc(NCc2cccnc2)cc1 Show InChI InChI=1S/C15H16N2O2/c18-15(19)8-5-12-3-6-14(7-4-12)17-11-13-2-1-9-16-10-13/h1-4,6-7,9-10,17H,5,8,11H2,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.16E+4	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22519 (3-{4-[({4-[(dimethylamino)methyl]phenyl}methyl)ami...) Show SMILES CN(C)Cc1ccc(CNc2ccc(CCC(O)=O)cc2)cc1 Show InChI InChI=1S/C19H24N2O2/c1-21(2)14-17-5-3-16(4-6-17)13-20-18-10-7-15(8-11-18)9-12-19(22)23/h3-8,10-11,20H,9,12-14H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.16E+4	n/a	n/a	n/a	22
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22520 (3-{4-[(2H-1,3-benzodioxol-5-ylmethyl)amino]phenyl}...) Show SMILES OC(=O)CCc1ccc(NCc2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C17H17NO4/c19-17(20)8-4-12-1-5-14(6-2-12)18-10-13-3-7-15-16(9-13)22-11-21-15/h1-3,5-7,9,18H,4,8,10-11H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.16E+4	n/a	n/a	n/a	25
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22521 (4-({[4-(2-carboxyethyl)phenyl]amino}methyl)benzoic...) Show SMILES OC(=O)CCc1ccc(NCc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C17H17NO4/c19-16(20)10-5-12-3-8-15(9-4-12)18-11-13-1-6-14(7-2-13)17(21)22/h1-4,6-9,18H,5,10-11H2,(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.16E+4	n/a	n/a	n/a	25
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22522 (3-(4-{[(4-hydroxyphenyl)methyl]amino}phenyl)propan...) Show SMILES OC(=O)CCc1ccc(NCc2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H17NO3/c18-15-8-3-13(4-9-15)11-17-14-6-1-12(2-7-14)5-10-16(19)20/h1-4,6-9,17-18H,5,10-11H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.16E+4	n/a	n/a	n/a	25
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22523 (3-(4-{[(4-cyanophenyl)methyl]amino}phenyl)propanoi...) Show SMILES OC(=O)CCc1ccc(NCc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C17H16N2O2/c18-11-14-1-3-15(4-2-14)12-19-16-8-5-13(6-9-16)7-10-17(20)21/h1-6,8-9,19H,7,10,12H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.16E+4	n/a	n/a	n/a	25
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22524 (3-(4-{[(4-methoxyphenyl)methyl]amino}phenyl)propan...) Show SMILES COc1ccc(CNc2ccc(CCC(O)=O)cc2)cc1 Show InChI InChI=1S/C17H19NO3/c1-21-16-9-4-14(5-10-16)12-18-15-7-2-13(3-8-15)6-11-17(19)20/h2-5,7-10,18H,6,11-12H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	25
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22525 (3-(4-{[(3-carbamoylphenyl)methyl]amino}phenyl)prop...) Show SMILES NC(=O)c1cccc(CNc2ccc(CCC(O)=O)cc2)c1 Show InChI InChI=1S/C17H18N2O3/c18-17(22)14-3-1-2-13(10-14)11-19-15-7-4-12(5-8-15)6-9-16(20)21/h1-5,7-8,10,19H,6,9,11H2,(H2,18,22)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.16E+4	n/a	n/a	n/a	25
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22526 (3-{4-[(1H-imidazol-2-ylmethyl)amino]phenyl}propano...) Show SMILES OC(=O)CCc1ccc(NCc2ncc[nH]2)cc1 Show InChI InChI=1S/C13H15N3O2/c17-13(18)6-3-10-1-4-11(5-2-10)16-9-12-14-7-8-15-12/h1-2,4-5,7-8,16H,3,6,9H2,(H,14,15)(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.16E+4	n/a	n/a	n/a	25
GSK					Assay Description The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of...				Bioorg Med Chem Lett 17: 1584-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.084 BindingDB Entry DOI: 10.7270/Q2862DRR
					More data for this Ligand-Target Pair

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