Compile Data Set for Download or QSAR

Found 238 hits with Last Name = 'wellner' and Initial = 'e'   

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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539662 (CHEMBL4641579) Show SMILES CCOc1cc(Cl)c(cc1-n1cccn1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C1CCN(C)CC1 Show InChI InChI=1S/C26H27ClN6O5S2/c1-3-38-22-15-19(27)18(14-21(22)33-10-4-9-28-33)24(34)30-25(35)31-26-29-20-6-5-17(13-23(20)39-26)40(36,37)16-7-11-32(2)12-8-16/h4-6,9-10,13-16H,3,7-8,11-12H2,1-2H3,(H2,29,30,31,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50045830 (CHEMBL3314362) Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]QRFP43 from human GPR103 receptor expressed in HEK cells after 90 mins incubation by scintillation counting				J Med Chem 57: 5935-48 (2014) Article DOI: 10.1021/jm401951t BindingDB Entry DOI: 10.7270/Q2MP54W9
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350728 (CHEMBL1818291) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2cccc(CN)c2)CC1 |r,wU:9.8,wD:12.12,(-10.3,5.18,;-8.97,5.96,;-8.98,7.5,;-10.31,6.73,;-7.64,5.19,;-6.3,5.97,;-6.31,7.51,;-4.97,5.2,;-4.96,3.66,;-3.63,2.89,;-2.3,3.67,;-.97,2.89,;-.97,1.35,;.37,.58,;.36,-.96,;1.7,-1.73,;3.03,-.96,;1.69,-3.27,;3.02,-4.03,;3.03,-5.57,;1.69,-6.35,;.36,-5.58,;-.97,-6.33,;-2.29,-5.57,;-2.29,-4.03,;-.96,-3.27,;.36,-4.04,;4.36,-6.34,;4.36,-7.88,;5.69,-8.65,;7.03,-7.87,;7.02,-6.33,;8.35,-5.55,;9.69,-6.31,;5.68,-5.56,;-2.3,.59,;-3.63,1.35,)| Show InChI InChI=1S/C30H38N4O3/c1-30(2,3)37-29(36)33-19-21-13-11-20(12-14-21)18-32-28(35)25-16-27(23-8-6-7-22(15-23)17-31)34-26-10-5-4-9-24(25)26/h4-10,15-16,20-21H,11-14,17-19,31H2,1-3H3,(H,32,35)(H,33,36)/t20-,21-	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	52	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50045833 (CHEMBL3314349) Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ccc2n1C Show InChI InChI=1S/C22H24ClN3O/c1-24(2)13-15-4-5-17-14-26(9-8-16(17)10-15)22(27)21-12-18-11-19(23)6-7-20(18)25(21)3/h4-7,10-12H,8-9,13-14H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]QRFP43 from human GPR103 receptor expressed in HEK cells after 90 mins incubation by scintillation counting				J Med Chem 57: 5935-48 (2014) Article DOI: 10.1021/jm401951t BindingDB Entry DOI: 10.7270/Q2MP54W9
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50045833 (CHEMBL3314349) Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ccc2n1C Show InChI InChI=1S/C22H24ClN3O/c1-24(2)13-15-4-5-17-14-26(9-8-16(17)10-15)22(27)21-12-18-11-19(23)6-7-20(18)25(21)3/h4-7,10-12H,8-9,13-14H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay				J Med Chem 57: 5935-48 (2014) Article DOI: 10.1021/jm401951t BindingDB Entry DOI: 10.7270/Q2MP54W9
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350748 (CHEMBL1818297) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN)CC2)CC1 |r,wU:9.8,wD:12.12,(42.97,-14.06,;44.3,-13.29,;44.3,-11.75,;42.96,-12.52,;45.64,-14.05,;46.97,-13.28,;46.97,-11.74,;48.31,-14.05,;48.31,-15.59,;49.65,-16.35,;50.98,-15.58,;52.31,-16.35,;52.31,-17.89,;53.64,-18.67,;53.64,-20.21,;54.97,-20.98,;56.31,-20.21,;54.97,-22.52,;56.3,-23.28,;56.31,-24.82,;54.97,-25.6,;53.63,-24.82,;52.31,-25.58,;50.99,-24.82,;50.99,-23.28,;52.32,-22.52,;53.64,-23.29,;57.63,-25.58,;57.64,-27.13,;58.97,-27.89,;60.3,-27.12,;61.64,-27.89,;61.65,-29.43,;62.98,-30.19,;60.3,-25.57,;58.96,-24.81,;50.98,-18.66,;49.65,-17.89,)| Show InChI InChI=1S/C30H45N5O3/c1-30(2,3)38-29(37)33-20-23-10-8-22(9-11-23)19-32-28(36)25-18-27(34-26-7-5-4-6-24(25)26)35-16-13-21(12-15-31)14-17-35/h4-7,18,21-23H,8-17,19-20,31H2,1-3H3,(H,32,36)(H,33,37)/t22-,23-	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	89	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350750 (CHEMBL1818300) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN3CC(O)C3)CC2)CC1 |r,wU:9.8,wD:12.12,(30.79,-33.91,;32.12,-33.14,;32.12,-31.6,;30.78,-32.37,;33.46,-33.9,;34.79,-33.13,;34.79,-31.59,;36.13,-33.9,;36.13,-35.44,;37.47,-36.2,;38.8,-35.43,;40.12,-36.2,;40.12,-37.74,;41.46,-38.51,;41.46,-40.05,;42.79,-40.83,;44.12,-40.06,;42.79,-42.37,;44.12,-43.13,;44.12,-44.66,;42.78,-45.44,;41.45,-44.67,;40.12,-45.43,;38.8,-44.66,;38.8,-43.12,;40.13,-42.36,;41.46,-43.13,;45.45,-45.43,;45.45,-46.97,;46.78,-47.74,;48.12,-46.97,;49.45,-47.73,;50.78,-46.96,;52.12,-47.72,;52.52,-49.2,;54.01,-48.8,;55.35,-49.57,;53.61,-47.31,;48.11,-45.42,;46.77,-44.66,;38.8,-38.51,;37.47,-37.74,)| Show InChI InChI=1S/C33H49N5O4/c1-33(2,3)42-32(41)35-20-25-10-8-24(9-11-25)19-34-31(40)28-18-30(36-29-7-5-4-6-27(28)29)38-16-13-23(14-17-38)12-15-37-21-26(39)22-37/h4-7,18,23-26,39H,8-17,19-22H2,1-3H3,(H,34,40)(H,35,41)/t24-,25-	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	99	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350747 (CHEMBL1818296) Show SMILES CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(43.4,-32.84,;43.39,-31.3,;44.72,-30.52,;42.06,-30.53,;42.05,-28.99,;40.71,-28.23,;39.38,-29,;38.05,-28.23,;38.04,-26.69,;39.37,-25.92,;40.71,-26.68,;36.72,-25.92,;36.71,-24.39,;35.38,-23.63,;35.38,-22.09,;36.72,-21.32,;34.05,-21.31,;34.05,-19.77,;32.72,-19,;32.72,-17.46,;31.39,-16.68,;30.06,-17.46,;28.73,-16.7,;28.72,-15.15,;27.38,-14.39,;27.38,-12.85,;26.05,-15.16,;24.72,-14.4,;23.38,-15.17,;24.71,-12.86,;23.38,-13.62,;30.06,-19,;31.39,-19.77,;34.05,-24.39,;32.73,-23.62,;31.4,-24.38,;31.4,-25.92,;32.72,-26.69,;34.04,-25.93,;35.38,-26.7,)| Show InChI InChI=1S/C32H49N5O3/c1-32(2,3)40-31(39)34-22-25-12-10-24(11-13-25)21-33-30(38)27-20-29(35-28-9-7-6-8-26(27)28)37-18-15-23(16-19-37)14-17-36(4)5/h6-9,20,23-25H,10-19,21-22H2,1-5H3,(H,33,38)(H,34,39)/t24-,25-	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	110	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50045838 (CHEMBL3314358) Show SMILES CC1CN(Cc2ccc(CN(C)C)cc12)C(=O)c1cc2cc(Br)ncc2n1C Show InChI InChI=1S/C22H25BrN4O/c1-14-11-27(13-16-6-5-15(7-18(14)16)12-25(2)3)22(28)19-8-17-9-21(23)24-10-20(17)26(19)4/h5-10,14H,11-13H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay				J Med Chem 57: 5935-48 (2014) Article DOI: 10.1021/jm401951t BindingDB Entry DOI: 10.7270/Q2MP54W9
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350753 (CHEMBL1818303) Show SMILES CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OCC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(58.23,-15.48,;58.23,-13.94,;59.57,-13.17,;56.9,-13.17,;56.9,-11.63,;55.57,-10.86,;54.23,-11.62,;52.9,-10.86,;52.91,-9.33,;54.23,-8.54,;55.57,-9.31,;51.57,-8.56,;51.56,-7.01,;50.23,-6.25,;50.22,-4.71,;51.55,-3.94,;48.88,-3.95,;48.87,-2.41,;47.54,-1.65,;47.53,-.1,;46.2,.66,;44.86,-.11,;43.53,.66,;43.53,2.2,;42.19,2.97,;42.19,4.51,;40.86,2.2,;39.52,2.96,;38.19,2.19,;36.86,2.96,;38.19,.65,;36.85,1.43,;44.87,-1.65,;46.2,-2.42,;48.9,-7.03,;47.57,-6.26,;46.24,-7.03,;46.24,-8.58,;47.57,-9.35,;48.9,-8.57,;50.24,-9.33,)| Show InChI InChI=1S/C33H51N5O3/c1-33(2,3)23-41-32(40)35-22-26-12-10-25(11-13-26)21-34-31(39)28-20-30(36-29-9-7-6-8-27(28)29)38-18-15-24(16-19-38)14-17-37(4)5/h6-9,20,24-26H,10-19,21-23H2,1-5H3,(H,34,39)(H,35,40)/t25-,26-	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	130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50045842 (CHEMBL3314354) Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(I)ncc2n1C Show InChI InChI=1S/C21H23IN4O/c1-24(2)12-14-4-5-16-13-26(7-6-15(16)8-14)21(27)18-9-17-10-20(22)23-11-19(17)25(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay				J Med Chem 57: 5935-48 (2014) Article DOI: 10.1021/jm401951t BindingDB Entry DOI: 10.7270/Q2MP54W9
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase (Rattus norvegicus (Rat))	BDBM50350750 (CHEMBL1818300) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN3CC(O)C3)CC2)CC1 |r,wU:9.8,wD:12.12,(30.79,-33.91,;32.12,-33.14,;32.12,-31.6,;30.78,-32.37,;33.46,-33.9,;34.79,-33.13,;34.79,-31.59,;36.13,-33.9,;36.13,-35.44,;37.47,-36.2,;38.8,-35.43,;40.12,-36.2,;40.12,-37.74,;41.46,-38.51,;41.46,-40.05,;42.79,-40.83,;44.12,-40.06,;42.79,-42.37,;44.12,-43.13,;44.12,-44.66,;42.78,-45.44,;41.45,-44.67,;40.12,-45.43,;38.8,-44.66,;38.8,-43.12,;40.13,-42.36,;41.46,-43.13,;45.45,-45.43,;45.45,-46.97,;46.78,-47.74,;48.12,-46.97,;49.45,-47.73,;50.78,-46.96,;52.12,-47.72,;52.52,-49.2,;54.01,-48.8,;55.35,-49.57,;53.61,-47.31,;48.11,-45.42,;46.77,-44.66,;38.8,-38.51,;37.47,-37.74,)| Show InChI InChI=1S/C33H49N5O4/c1-33(2,3)42-32(41)35-20-25-10-8-24(9-11-25)19-34-31(40)28-18-30(36-29-7-5-4-6-27(28)29)38-16-13-23(14-17-38)12-15-37-21-26(39)22-37/h4-7,18,23-26,39H,8-17,19-22H2,1-3H3,(H,34,40)(H,35,41)/t24-,25-	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of ACC2 in obese Zucker rat assessed as reduction in hepatic malonyl-coA level preincubated for 15 mins measured after 1.5 hrs using Malac...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase (Rattus norvegicus (Rat))	BDBM50189617 ((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...) Show SMILES O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1 |r| Show InChI InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of ACC2 in obese Zucker rat assessed as reduction in hepatic malonyl-coA level preincubated for 15 mins measured after 1.5 hrs using Malac...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase (Rattus norvegicus (Rat))	BDBM50350747 (CHEMBL1818296) Show SMILES CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(43.4,-32.84,;43.39,-31.3,;44.72,-30.52,;42.06,-30.53,;42.05,-28.99,;40.71,-28.23,;39.38,-29,;38.05,-28.23,;38.04,-26.69,;39.37,-25.92,;40.71,-26.68,;36.72,-25.92,;36.71,-24.39,;35.38,-23.63,;35.38,-22.09,;36.72,-21.32,;34.05,-21.31,;34.05,-19.77,;32.72,-19,;32.72,-17.46,;31.39,-16.68,;30.06,-17.46,;28.73,-16.7,;28.72,-15.15,;27.38,-14.39,;27.38,-12.85,;26.05,-15.16,;24.72,-14.4,;23.38,-15.17,;24.71,-12.86,;23.38,-13.62,;30.06,-19,;31.39,-19.77,;34.05,-24.39,;32.73,-23.62,;31.4,-24.38,;31.4,-25.92,;32.72,-26.69,;34.04,-25.93,;35.38,-26.7,)| Show InChI InChI=1S/C32H49N5O3/c1-32(2,3)40-31(39)34-22-25-12-10-24(11-13-25)21-33-30(38)27-20-29(35-28-9-7-6-8-26(27)28)37-18-15-23(16-19-37)14-17-36(4)5/h6-9,20,23-25H,10-19,21-22H2,1-5H3,(H,33,38)(H,34,39)/t24-,25-	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of ACC2 in obese Zucker rat assessed as reduction in hepatic malonyl-coA level preincubated for 15 mins measured after 1.5 hrs using Malac...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350739 (CHEMBL1818194) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2ccncc2)CC1 |r,wU:9.8,wD:12.12,(19.57,-29.47,;20.91,-28.69,;20.9,-27.15,;19.57,-27.92,;22.24,-29.46,;23.58,-28.68,;23.57,-27.14,;24.91,-29.45,;24.92,-30.99,;26.26,-31.76,;27.59,-30.98,;28.92,-31.76,;28.92,-33.3,;30.25,-34.07,;30.25,-35.62,;31.58,-36.39,;32.92,-35.62,;31.58,-37.93,;32.91,-38.69,;32.91,-40.23,;31.57,-41,;30.24,-40.23,;28.92,-40.99,;27.59,-40.23,;27.59,-38.69,;28.93,-37.93,;30.25,-38.7,;34.24,-40.99,;34.24,-42.54,;35.58,-43.3,;36.91,-42.53,;36.91,-40.98,;35.57,-40.22,;27.59,-34.06,;26.26,-33.3,)| Show InChI InChI=1S/C28H34N4O3/c1-28(2,3)35-27(34)31-18-20-10-8-19(9-11-20)17-30-26(33)23-16-25(21-12-14-29-15-13-21)32-24-7-5-4-6-22(23)24/h4-7,12-16,19-20H,8-11,17-18H2,1-3H3,(H,30,33)(H,31,34)/t19-,20-	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	210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350732 (CHEMBL1818187) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2ccccc2)CC1 |r,wU:9.8,wD:12.12,(43.07,4.49,;44.41,5.27,;44.4,6.81,;43.06,6.04,;45.74,4.5,;47.07,5.28,;47.07,6.82,;48.41,4.51,;48.41,2.97,;49.75,2.2,;51.08,2.98,;52.41,2.2,;52.41,.66,;53.74,-.11,;53.74,-1.65,;55.08,-2.42,;56.41,-1.65,;55.07,-3.96,;56.4,-4.73,;56.41,-6.26,;55.07,-7.04,;53.73,-6.27,;52.41,-7.03,;51.09,-6.26,;51.09,-4.72,;52.42,-3.96,;53.74,-4.73,;57.74,-7.03,;57.74,-8.57,;59.07,-9.34,;60.41,-8.57,;60.4,-7.02,;59.06,-6.26,;51.08,-.1,;49.75,.66,)| Show InChI InChI=1S/C29H35N3O3/c1-29(2,3)35-28(34)31-19-21-15-13-20(14-16-21)18-30-27(33)24-17-26(22-9-5-4-6-10-22)32-25-12-8-7-11-23(24)25/h4-12,17,20-21H,13-16,18-19H2,1-3H3,(H,30,33)(H,31,34)/t20-,21-	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	210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350746 (CHEMBL1818295) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCO)CC2)CC1 |r,wU:9.8,wD:12.12,(5.98,-14.79,;7.31,-14.02,;7.31,-12.48,;5.97,-13.25,;8.65,-14.79,;9.98,-14.01,;9.98,-12.47,;11.32,-14.78,;11.32,-16.32,;12.66,-17.09,;13.99,-16.31,;15.32,-17.09,;15.32,-18.63,;16.65,-19.4,;16.65,-20.94,;17.98,-21.71,;19.32,-20.94,;17.98,-23.25,;19.31,-24.01,;19.32,-25.55,;17.98,-26.33,;16.64,-25.55,;15.32,-26.31,;14,-25.55,;14,-24.01,;15.33,-23.25,;16.65,-24.02,;20.64,-26.32,;20.65,-27.86,;21.98,-28.63,;23.31,-27.85,;24.65,-28.62,;24.66,-30.16,;25.99,-30.92,;23.31,-26.3,;21.97,-25.54,;13.99,-19.39,;12.66,-18.63,)| Show InChI InChI=1S/C30H44N4O4/c1-30(2,3)38-29(37)32-20-23-10-8-22(9-11-23)19-31-28(36)25-18-27(33-26-7-5-4-6-24(25)26)34-15-12-21(13-16-34)14-17-35/h4-7,18,21-23,35H,8-17,19-20H2,1-3H3,(H,31,36)(H,32,37)/t22-,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50189617 ((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...) Show SMILES O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1 |r| Show InChI InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of obese Zucker rat ACC1 assessed as reduction in hepatic malonyl-coA level preincubated for 15 mins measured after 1.5 hrs using Malachit...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50350728 (CHEMBL1818291) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2cccc(CN)c2)CC1 |r,wU:9.8,wD:12.12,(-10.3,5.18,;-8.97,5.96,;-8.98,7.5,;-10.31,6.73,;-7.64,5.19,;-6.3,5.97,;-6.31,7.51,;-4.97,5.2,;-4.96,3.66,;-3.63,2.89,;-2.3,3.67,;-.97,2.89,;-.97,1.35,;.37,.58,;.36,-.96,;1.7,-1.73,;3.03,-.96,;1.69,-3.27,;3.02,-4.03,;3.03,-5.57,;1.69,-6.35,;.36,-5.58,;-.97,-6.33,;-2.29,-5.57,;-2.29,-4.03,;-.96,-3.27,;.36,-4.04,;4.36,-6.34,;4.36,-7.88,;5.69,-8.65,;7.03,-7.87,;7.02,-6.33,;8.35,-5.55,;9.69,-6.31,;5.68,-5.56,;-2.3,.59,;-3.63,1.35,)| Show InChI InChI=1S/C30H38N4O3/c1-30(2,3)37-29(36)33-19-21-13-11-20(12-14-21)18-32-28(35)25-16-27(23-8-6-7-22(15-23)17-31)34-26-10-5-4-9-24(25)26/h4-10,15-16,20-21H,11-14,17-19,31H2,1-3H3,(H,32,35)(H,33,36)/t20-,21-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC1 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350744 (CHEMBL1818293) Show SMILES CN(C)CCn1cc(cn1)-c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:20.21,wD:17.17,(63.93,-12.54,;62.4,-12.38,;61.49,-13.63,;61.77,-10.98,;60.24,-10.82,;59.61,-9.41,;58.11,-9.09,;57.94,-7.57,;59.35,-6.94,;60.38,-8.08,;56.61,-6.81,;56.61,-5.27,;55.28,-4.51,;55.28,-2.97,;56.61,-2.2,;53.95,-2.2,;53.95,-.66,;52.61,.12,;52.61,1.66,;51.28,2.43,;49.96,1.66,;48.62,2.42,;48.61,3.96,;47.28,4.73,;47.27,6.27,;45.95,3.96,;44.61,4.72,;43.28,3.95,;44.6,6.26,;43.27,5.49,;49.96,.12,;51.28,-.65,;53.95,-5.28,;52.62,-4.51,;51.29,-5.27,;51.29,-6.81,;52.61,-7.57,;53.94,-6.81,;55.27,-7.58,)| Show InChI InChI=1S/C30H42N6O3/c1-30(2,3)39-29(38)32-18-22-12-10-21(11-13-22)17-31-28(37)25-16-27(34-26-9-7-6-8-24(25)26)23-19-33-36(20-23)15-14-35(4)5/h6-9,16,19-22H,10-15,17-18H2,1-5H3,(H,31,37)(H,32,38)/t21-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50045831 (CHEMBL3314352) Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Br)ncc2n1C Show InChI InChI=1S/C21H23BrN4O/c1-24(2)12-14-4-5-16-13-26(7-6-15(16)8-14)21(27)18-9-17-10-20(22)23-11-19(17)25(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay				J Med Chem 57: 5935-48 (2014) Article DOI: 10.1021/jm401951t BindingDB Entry DOI: 10.7270/Q2MP54W9
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50350750 (CHEMBL1818300) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN3CC(O)C3)CC2)CC1 |r,wU:9.8,wD:12.12,(30.79,-33.91,;32.12,-33.14,;32.12,-31.6,;30.78,-32.37,;33.46,-33.9,;34.79,-33.13,;34.79,-31.59,;36.13,-33.9,;36.13,-35.44,;37.47,-36.2,;38.8,-35.43,;40.12,-36.2,;40.12,-37.74,;41.46,-38.51,;41.46,-40.05,;42.79,-40.83,;44.12,-40.06,;42.79,-42.37,;44.12,-43.13,;44.12,-44.66,;42.78,-45.44,;41.45,-44.67,;40.12,-45.43,;38.8,-44.66,;38.8,-43.12,;40.13,-42.36,;41.46,-43.13,;45.45,-45.43,;45.45,-46.97,;46.78,-47.74,;48.12,-46.97,;49.45,-47.73,;50.78,-46.96,;52.12,-47.72,;52.52,-49.2,;54.01,-48.8,;55.35,-49.57,;53.61,-47.31,;48.11,-45.42,;46.77,-44.66,;38.8,-38.51,;37.47,-37.74,)| Show InChI InChI=1S/C33H49N5O4/c1-33(2,3)42-32(41)35-20-25-10-8-24(9-11-25)19-34-31(40)28-18-30(36-29-7-5-4-6-27(28)29)38-16-13-23(14-17-38)12-15-37-21-26(39)22-37/h4-7,18,23-26,39H,8-17,19-22H2,1-3H3,(H,34,40)(H,35,41)/t24-,25-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of obese Zucker rat ACC1 assessed as reduction in hepatic malonyl-coA level preincubated for 15 mins measured after 1.5 hrs using Malachit...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50045831 (CHEMBL3314352) Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Br)ncc2n1C Show InChI InChI=1S/C21H23BrN4O/c1-24(2)12-14-4-5-16-13-26(7-6-15(16)8-14)21(27)18-9-17-10-20(22)23-11-19(17)25(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]QRFP43 from human GPR103 receptor expressed in HEK cells after 90 mins incubation by scintillation counting				J Med Chem 57: 5935-48 (2014) Article DOI: 10.1021/jm401951t BindingDB Entry DOI: 10.7270/Q2MP54W9
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350742 (CHEMBL1615283) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2ccc(CN)cc2)CC1 |r,wU:9.8,wD:12.12,(10.59,-6.18,;9.25,-5.41,;10.02,-4.07,;8.48,-6.74,;7.92,-4.64,;6.58,-5.41,;6.58,-6.95,;5.25,-4.64,;3.92,-5.41,;2.58,-4.64,;1.25,-5.41,;-.08,-4.64,;-.08,-3.1,;-1.42,-2.33,;-1.42,-.79,;-2.75,-.02,;-4.09,-.79,;-2.75,1.52,;-4.09,2.29,;-4.09,3.83,;-2.75,4.6,;-1.42,3.83,;-.08,4.6,;1.25,3.83,;1.25,2.29,;-.08,1.52,;-1.42,2.29,;-5.42,4.6,;-6.75,3.83,;-8.09,4.6,;-8.09,6.14,;-9.42,6.91,;-10.75,6.14,;-6.75,6.91,;-5.42,6.14,;1.25,-2.33,;2.58,-3.1,)| Show InChI InChI=1S/C30H38N4O3/c1-30(2,3)37-29(36)33-19-22-10-8-21(9-11-22)18-32-28(35)25-16-27(23-14-12-20(17-31)13-15-23)34-26-7-5-4-6-24(25)26/h4-7,12-16,21-22H,8-11,17-19,31H2,1-3H3,(H,32,35)(H,33,36)/t21-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539689 (CHEMBL4642043) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ccc(-c2nc3ccc(cc3s2)S(=O)(=O)C2CCN(C)CC2)c(=O)[nH]1 Show InChI InChI=1S/C30H33ClN4O5S2/c1-3-40-27-18-23(31)22(17-26(27)35-12-14-39-15-13-35)24-7-5-21(29(36)32-24)30-33-25-6-4-20(16-28(25)41-30)42(37,38)19-8-10-34(2)11-9-19/h4-7,16-19H,3,8-15H2,1-2H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50045834 (CHEMBL3314361) Show SMILES CC(N(C)C)c1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ncc2n1C Show InChI InChI=1S/C22H25ClN4O/c1-14(25(2)3)15-5-6-17-13-27(8-7-16(17)9-15)22(28)19-10-18-11-21(23)24-12-20(18)26(19)4/h5-6,9-12,14H,7-8,13H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay				J Med Chem 57: 5935-48 (2014) Article DOI: 10.1021/jm401951t BindingDB Entry DOI: 10.7270/Q2MP54W9
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50350747 (CHEMBL1818296) Show SMILES CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(43.4,-32.84,;43.39,-31.3,;44.72,-30.52,;42.06,-30.53,;42.05,-28.99,;40.71,-28.23,;39.38,-29,;38.05,-28.23,;38.04,-26.69,;39.37,-25.92,;40.71,-26.68,;36.72,-25.92,;36.71,-24.39,;35.38,-23.63,;35.38,-22.09,;36.72,-21.32,;34.05,-21.31,;34.05,-19.77,;32.72,-19,;32.72,-17.46,;31.39,-16.68,;30.06,-17.46,;28.73,-16.7,;28.72,-15.15,;27.38,-14.39,;27.38,-12.85,;26.05,-15.16,;24.72,-14.4,;23.38,-15.17,;24.71,-12.86,;23.38,-13.62,;30.06,-19,;31.39,-19.77,;34.05,-24.39,;32.73,-23.62,;31.4,-24.38,;31.4,-25.92,;32.72,-26.69,;34.04,-25.93,;35.38,-26.7,)| Show InChI InChI=1S/C32H49N5O3/c1-32(2,3)40-31(39)34-22-25-12-10-24(11-13-25)21-33-30(38)27-20-29(35-28-9-7-6-8-26(27)28)37-18-15-23(16-19-37)14-17-36(4)5/h6-9,20,23-25H,10-19,21-22H2,1-5H3,(H,33,38)(H,34,39)/t24-,25-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of obese Zucker rat ACC1 assessed as reduction in hepatic malonyl-coA level preincubated for 15 mins measured after 1.5 hrs using Malachit...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50045837 (CHEMBL3314359) Show SMILES CC1N(CCc2cc(CN(C)C)ccc12)C(=O)c1cc2cc(Cl)ncc2n1C Show InChI InChI=1S/C22H25ClN4O/c1-14-18-6-5-15(13-25(2)3)9-16(18)7-8-27(14)22(28)19-10-17-11-21(23)24-12-20(17)26(19)4/h5-6,9-12,14H,7-8,13H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay				J Med Chem 57: 5935-48 (2014) Article DOI: 10.1021/jm401951t BindingDB Entry DOI: 10.7270/Q2MP54W9
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350740 (CHEMBL1818195) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2cn[nH]c2)CC1 |r,wU:9.8,wD:12.12,(32.95,-30.15,;34.28,-29.38,;34.28,-27.84,;32.94,-28.61,;35.62,-30.14,;36.95,-29.37,;36.95,-27.83,;38.29,-30.14,;38.29,-31.68,;39.63,-32.44,;40.96,-31.67,;42.29,-32.44,;42.29,-33.98,;43.62,-34.76,;43.62,-36.3,;44.95,-37.07,;46.29,-36.3,;44.95,-38.61,;46.28,-39.37,;46.29,-40.91,;44.95,-41.68,;43.61,-40.91,;42.29,-41.67,;40.97,-40.91,;40.97,-39.37,;42.3,-38.61,;43.62,-39.38,;47.62,-41.67,;47.79,-43.2,;49.3,-43.52,;50.06,-42.18,;49.03,-41.04,;40.96,-34.75,;39.63,-33.98,)| Show InChI InChI=1S/C26H33N5O3/c1-26(2,3)34-25(33)28-14-18-10-8-17(9-11-18)13-27-24(32)21-12-23(19-15-29-30-16-19)31-22-7-5-4-6-20(21)22/h4-7,12,15-18H,8-11,13-14H2,1-3H3,(H,27,32)(H,28,33)(H,29,30)/t17-,18-	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	570	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50045846 (CHEMBL3314350) Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ncc2n1C Show InChI InChI=1S/C21H23ClN4O/c1-24(2)12-14-4-5-16-13-26(7-6-15(16)8-14)21(27)18-9-17-10-20(22)23-11-19(17)25(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay				J Med Chem 57: 5935-48 (2014) Article DOI: 10.1021/jm401951t BindingDB Entry DOI: 10.7270/Q2MP54W9
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350755 (CHEMBL1818299) Show SMILES CN(C)CCOC1CN(C1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:20.21,wD:17.17,(31.97,-47.6,;30.63,-46.83,;30.63,-45.29,;29.3,-47.6,;27.96,-46.83,;26.63,-47.6,;25.29,-46.83,;23.81,-47.23,;23.42,-45.76,;24.9,-45.35,;22.09,-44.99,;22.09,-43.46,;20.76,-42.69,;20.76,-41.15,;22.1,-40.39,;19.43,-40.38,;19.43,-38.84,;18.1,-38.07,;18.1,-36.53,;16.77,-35.75,;15.44,-36.53,;14.1,-35.76,;14.1,-34.22,;12.76,-33.45,;12.75,-31.91,;11.43,-34.23,;10.09,-33.46,;8.76,-34.24,;10.09,-31.92,;8.75,-32.69,;15.44,-38.07,;16.77,-38.83,;19.43,-43.46,;18.11,-42.69,;16.77,-43.45,;16.77,-44.99,;18.1,-45.76,;19.42,-45,;20.75,-45.77,)| Show InChI InChI=1S/C30H45N5O4/c1-30(2,3)39-29(37)32-18-22-12-10-21(11-13-22)17-31-28(36)25-16-27(33-26-9-7-6-8-24(25)26)35-19-23(20-35)38-15-14-34(4)5/h6-9,16,21-23H,10-15,17-20H2,1-5H3,(H,31,36)(H,32,37)/t21-,22-	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	630	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350752 (CHEMBL1818302) Show SMILES CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC3CCOCC3)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(33.6,-14.34,;33.6,-12.8,;34.93,-12.03,;32.26,-12.03,;32.26,-10.49,;30.93,-9.72,;29.59,-10.48,;28.26,-9.72,;28.27,-8.19,;29.59,-7.4,;30.93,-8.17,;26.93,-7.42,;26.92,-5.87,;25.59,-5.11,;25.58,-3.57,;26.91,-2.8,;24.24,-2.81,;24.23,-1.27,;22.9,-.51,;22.89,1.04,;21.56,1.8,;20.22,1.03,;18.89,1.8,;18.89,3.34,;17.55,4.11,;17.55,5.65,;16.22,3.34,;14.88,4.1,;14.89,5.65,;13.56,6.41,;12.22,5.65,;12.22,4.11,;13.56,3.33,;20.23,-.51,;21.57,-1.28,;24.26,-5.88,;22.93,-5.12,;21.6,-5.89,;21.6,-7.43,;22.93,-8.21,;24.26,-7.43,;25.6,-8.19,)| Show InChI InChI=1S/C33H49N5O4/c1-37(2)16-11-24-12-17-38(18-13-24)31-21-29(28-5-3-4-6-30(28)36-31)32(39)34-22-25-7-9-26(10-8-25)23-35-33(40)42-27-14-19-41-20-15-27/h3-6,21,24-27H,7-20,22-23H2,1-2H3,(H,34,39)(H,35,40)/t25-,26-	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	680	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350731 (CHEMBL1818186) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNS(=O)(=O)c2cc(nc3ccccc23)-c2ccccc2)CC1 |r,wU:9.8,wD:12.12,(22.76,4.28,;24.1,5.06,;24.09,6.6,;22.76,5.83,;25.43,4.29,;26.77,5.07,;26.76,6.61,;28.1,4.3,;28.11,2.76,;29.44,1.99,;30.77,2.77,;32.1,1.99,;32.1,.45,;33.44,-.32,;33.44,-1.86,;34.77,-2.63,;35.16,-1.14,;36.25,-3.02,;34.77,-4.18,;36.1,-4.94,;36.1,-6.48,;34.76,-7.25,;33.43,-6.48,;32.1,-7.24,;30.78,-6.47,;30.78,-4.93,;32.11,-4.17,;33.44,-4.94,;37.43,-7.24,;37.43,-8.78,;38.77,-9.55,;40.1,-8.78,;40.09,-7.23,;38.76,-6.47,;30.77,-.31,;29.44,.45,)| Show InChI InChI=1S/C28H35N3O4S/c1-28(2,3)35-27(32)29-18-20-13-15-21(16-14-20)19-30-36(33,34)26-17-25(22-9-5-4-6-10-22)31-24-12-8-7-11-23(24)26/h4-12,17,20-21,30H,13-16,18-19H2,1-3H3,(H,29,32)/t20-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350749 (CHEMBL1818298) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CN)CC2)CC1 |r,wU:9.8,wD:12.12,(-9.87,-35.11,;-8.54,-34.34,;-8.54,-32.8,;-9.88,-33.57,;-7.2,-35.11,;-5.87,-34.33,;-5.87,-32.79,;-4.53,-35.1,;-4.53,-36.64,;-3.19,-37.41,;-1.86,-36.63,;-.53,-37.41,;-.53,-38.95,;.8,-39.72,;.8,-41.26,;2.13,-42.03,;3.47,-41.26,;2.13,-43.57,;3.46,-44.33,;3.47,-45.87,;2.13,-46.65,;.79,-45.87,;-.53,-46.63,;-1.85,-45.87,;-1.85,-44.33,;-.52,-43.57,;.8,-44.34,;4.79,-46.64,;4.79,-48.18,;6.13,-48.95,;7.46,-48.17,;8.8,-48.94,;8.81,-50.48,;7.46,-46.62,;6.12,-45.86,;-1.86,-39.71,;-3.19,-38.95,)| Show InChI InChI=1S/C29H43N5O3/c1-29(2,3)37-28(36)32-19-22-10-8-21(9-11-22)18-31-27(35)24-16-26(33-25-7-5-4-6-23(24)25)34-14-12-20(17-30)13-15-34/h4-7,16,20-22H,8-15,17-19,30H2,1-3H3,(H,31,35)(H,32,36)/t21-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50045836 (CHEMBL3314360) Show SMILES CC1Cc2cc(CN(C)C)ccc2CN1C(=O)c1cc2cc(Cl)ncc2n1C Show InChI InChI=1S/C22H25ClN4O/c1-14-7-17-8-15(12-25(2)3)5-6-16(17)13-27(14)22(28)19-9-18-10-21(23)24-11-20(18)26(19)4/h5-6,8-11,14H,7,12-13H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay				J Med Chem 57: 5935-48 (2014) Article DOI: 10.1021/jm401951t BindingDB Entry DOI: 10.7270/Q2MP54W9
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350745 (CHEMBL1818294) Show SMILES CN(C)CCN1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(5.51,-31.62,;5.5,-30.07,;6.83,-29.3,;4.16,-29.31,;4.16,-27.77,;2.82,-27,;1.49,-27.77,;.15,-27.01,;.15,-25.46,;1.48,-24.69,;2.81,-25.45,;-1.18,-24.7,;-1.18,-23.16,;-2.51,-22.4,;-2.51,-20.86,;-1.18,-20.09,;-3.85,-20.08,;-3.84,-18.54,;-5.18,-17.77,;-5.18,-16.23,;-6.51,-15.45,;-7.84,-16.23,;-9.18,-15.46,;-9.18,-13.92,;-10.53,-13.15,;-10.54,-11.61,;-11.85,-13.93,;-13.19,-13.16,;-14.52,-13.94,;-13.2,-11.62,;-14.53,-12.39,;-7.84,-17.77,;-6.51,-18.53,;-3.85,-23.17,;-5.17,-22.4,;-6.5,-23.16,;-6.5,-24.7,;-5.18,-25.46,;-3.85,-24.7,;-2.52,-25.47,)| Show InChI InChI=1S/C31H48N6O3/c1-31(2,3)40-30(39)33-22-24-12-10-23(11-13-24)21-32-29(38)26-20-28(34-27-9-7-6-8-25(26)27)37-18-16-36(17-19-37)15-14-35(4)5/h6-9,20,23-24H,10-19,21-22H2,1-5H3,(H,32,38)(H,33,39)/t23-,24-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350743 (CHEMBL1818292) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2ccc(cc2)C(O)=O)CC1 |r,wU:9.8,wD:12.12,(23.09,6.93,;24.42,7.7,;24.42,9.25,;23.08,8.47,;25.76,6.94,;27.09,7.71,;27.09,9.25,;28.43,6.94,;28.43,5.4,;29.77,4.64,;31.1,5.41,;32.43,4.64,;32.43,3.1,;33.76,2.32,;33.76,.78,;35.09,.01,;36.43,.78,;35.09,-1.53,;36.42,-2.29,;36.43,-3.83,;35.09,-4.6,;33.75,-3.83,;32.43,-4.59,;31.11,-3.83,;31.11,-2.29,;32.44,-1.53,;33.76,-2.3,;37.75,-4.59,;37.75,-6.14,;39.09,-6.9,;40.42,-6.13,;40.42,-4.58,;39.08,-3.82,;41.76,-6.9,;43.09,-6.12,;41.77,-8.44,;31.1,2.33,;29.77,3.1,)| Show InChI InChI=1S/C30H35N3O5/c1-30(2,3)38-29(37)32-18-20-10-8-19(9-11-20)17-31-27(34)24-16-26(33-25-7-5-4-6-23(24)25)21-12-14-22(15-13-21)28(35)36/h4-7,12-16,19-20H,8-11,17-18H2,1-3H3,(H,31,34)(H,32,37)(H,35,36)/t19-,20-	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	750	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350736 (CHEMBL1818191) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3[nH]ccc23)-c2ccccc2)CC1 |r,wU:9.8,wD:12.12,(45.25,-13.23,;46.58,-12.45,;46.58,-10.91,;45.24,-11.68,;47.92,-13.22,;49.25,-12.44,;49.25,-10.9,;50.59,-13.21,;50.59,-14.75,;51.93,-15.52,;53.26,-14.74,;54.58,-15.52,;54.58,-17.06,;55.92,-17.83,;55.92,-19.37,;57.25,-20.14,;58.58,-19.37,;57.25,-21.68,;58.58,-22.44,;58.58,-23.98,;57.24,-24.75,;55.91,-23.99,;54.44,-24.46,;53.54,-23.2,;54.45,-21.96,;55.92,-22.45,;59.91,-24.74,;59.91,-26.29,;61.24,-27.05,;62.58,-26.28,;62.57,-24.73,;61.23,-23.97,;53.26,-17.82,;51.93,-17.06,)| Show InChI InChI=1S/C27H34N4O3/c1-27(2,3)34-26(33)30-17-19-11-9-18(10-12-19)16-29-25(32)22-15-23(20-7-5-4-6-8-20)31-24-21(22)13-14-28-24/h4-8,13-15,18-19H,9-12,16-17H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50350748 (CHEMBL1818297) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN)CC2)CC1 |r,wU:9.8,wD:12.12,(42.97,-14.06,;44.3,-13.29,;44.3,-11.75,;42.96,-12.52,;45.64,-14.05,;46.97,-13.28,;46.97,-11.74,;48.31,-14.05,;48.31,-15.59,;49.65,-16.35,;50.98,-15.58,;52.31,-16.35,;52.31,-17.89,;53.64,-18.67,;53.64,-20.21,;54.97,-20.98,;56.31,-20.21,;54.97,-22.52,;56.3,-23.28,;56.31,-24.82,;54.97,-25.6,;53.63,-24.82,;52.31,-25.58,;50.99,-24.82,;50.99,-23.28,;52.32,-22.52,;53.64,-23.29,;57.63,-25.58,;57.64,-27.13,;58.97,-27.89,;60.3,-27.12,;61.64,-27.89,;61.65,-29.43,;62.98,-30.19,;60.3,-25.57,;58.96,-24.81,;50.98,-18.66,;49.65,-17.89,)| Show InChI InChI=1S/C30H45N5O3/c1-30(2,3)38-29(37)33-20-23-10-8-22(9-11-23)19-32-28(36)25-18-27(34-26-7-5-4-6-24(25)26)35-16-13-21(12-15-31)14-17-35/h4-7,18,21-23H,8-17,19-20,31H2,1-3H3,(H,32,36)(H,33,37)/t22-,23-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC1 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50350728 (CHEMBL1818291) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2cccc(CN)c2)CC1 |r,wU:9.8,wD:12.12,(-10.3,5.18,;-8.97,5.96,;-8.98,7.5,;-10.31,6.73,;-7.64,5.19,;-6.3,5.97,;-6.31,7.51,;-4.97,5.2,;-4.96,3.66,;-3.63,2.89,;-2.3,3.67,;-.97,2.89,;-.97,1.35,;.37,.58,;.36,-.96,;1.7,-1.73,;3.03,-.96,;1.69,-3.27,;3.02,-4.03,;3.03,-5.57,;1.69,-6.35,;.36,-5.58,;-.97,-6.33,;-2.29,-5.57,;-2.29,-4.03,;-.96,-3.27,;.36,-4.04,;4.36,-6.34,;4.36,-7.88,;5.69,-8.65,;7.03,-7.87,;7.02,-6.33,;8.35,-5.55,;9.69,-6.31,;5.68,-5.56,;-2.3,.59,;-3.63,1.35,)| Show InChI InChI=1S/C30H38N4O3/c1-30(2,3)37-29(36)33-19-21-13-11-20(12-14-21)18-32-28(35)25-16-27(23-8-6-7-22(15-23)17-31)34-26-10-5-4-9-24(25)26/h4-10,15-16,20-21H,11-14,17-19,31H2,1-3H3,(H,32,35)(H,33,36)/t20-,21-	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	800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50045830 (CHEMBL3314362) Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay				J Med Chem 57: 5935-48 (2014) Article DOI: 10.1021/jm401951t BindingDB Entry DOI: 10.7270/Q2MP54W9
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50045830 (CHEMBL3314362) Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay				J Med Chem 57: 5935-48 (2014) Article DOI: 10.1021/jm401951t BindingDB Entry DOI: 10.7270/Q2MP54W9
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50539663 (CHEMBL4632411) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1 Show InChI InChI=1S/C27H33ClN6O4S/c1-3-38-23-16-20(28)19(15-22(23)34-10-12-37-13-11-34)25(35)30-26(36)31-27-29-21-5-4-18(14-24(21)39-27)17-33-8-6-32(2)7-9-33/h4-5,14-16H,3,6-13,17H2,1-2H3,(H2,29,30,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126953 BindingDB Entry DOI: 10.7270/Q2125X5X
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350733 (CHEMBL1818188) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CNC(=O)c2cc(nc3ccccc23)-c2ccccc2)CC1 |r,wU:9.8,12.12,(-8.92,-13,;-7.58,-12.23,;-7.59,-10.68,;-8.93,-11.45,;-6.25,-12.99,;-4.92,-12.22,;-4.92,-10.68,;-3.58,-12.98,;-3.58,-14.53,;-2.24,-15.29,;-.91,-14.51,;.42,-15.29,;.42,-16.83,;1.75,-17.6,;1.75,-19.15,;3.08,-19.92,;4.42,-19.15,;3.08,-21.46,;4.41,-22.22,;4.42,-23.76,;3.08,-24.53,;1.74,-23.76,;.42,-24.52,;-.9,-23.76,;-.9,-22.22,;.43,-21.46,;1.75,-22.23,;5.75,-24.52,;5.75,-26.06,;7.08,-26.83,;8.42,-26.06,;8.41,-24.51,;7.07,-23.75,;-.91,-17.6,;-2.24,-16.83,)| Show InChI InChI=1S/C29H35N3O3/c1-29(2,3)35-28(34)31-19-21-15-13-20(14-16-21)18-30-27(33)24-17-26(22-9-5-4-6-10-22)32-25-12-8-7-11-23(24)25/h4-12,17,20-21H,13-16,18-19H2,1-3H3,(H,30,33)(H,31,34)/t20-,21+	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+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50350753 (CHEMBL1818303) Show SMILES CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OCC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(58.23,-15.48,;58.23,-13.94,;59.57,-13.17,;56.9,-13.17,;56.9,-11.63,;55.57,-10.86,;54.23,-11.62,;52.9,-10.86,;52.91,-9.33,;54.23,-8.54,;55.57,-9.31,;51.57,-8.56,;51.56,-7.01,;50.23,-6.25,;50.22,-4.71,;51.55,-3.94,;48.88,-3.95,;48.87,-2.41,;47.54,-1.65,;47.53,-.1,;46.2,.66,;44.86,-.11,;43.53,.66,;43.53,2.2,;42.19,2.97,;42.19,4.51,;40.86,2.2,;39.52,2.96,;38.19,2.19,;36.86,2.96,;38.19,.65,;36.85,1.43,;44.87,-1.65,;46.2,-2.42,;48.9,-7.03,;47.57,-6.26,;46.24,-7.03,;46.24,-8.58,;47.57,-9.35,;48.9,-8.57,;50.24,-9.33,)| Show InChI InChI=1S/C33H51N5O3/c1-33(2,3)23-41-32(40)35-22-26-12-10-25(11-13-26)21-34-31(39)28-20-30(36-29-9-7-6-8-27(28)29)38-18-15-24(16-19-38)14-17-37(4)5/h6-9,20,24-26H,10-19,21-23H2,1-5H3,(H,34,39)(H,35,40)/t25-,26-	PDB 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+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC1 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50350750 (CHEMBL1818300) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN3CC(O)C3)CC2)CC1 |r,wU:9.8,wD:12.12,(30.79,-33.91,;32.12,-33.14,;32.12,-31.6,;30.78,-32.37,;33.46,-33.9,;34.79,-33.13,;34.79,-31.59,;36.13,-33.9,;36.13,-35.44,;37.47,-36.2,;38.8,-35.43,;40.12,-36.2,;40.12,-37.74,;41.46,-38.51,;41.46,-40.05,;42.79,-40.83,;44.12,-40.06,;42.79,-42.37,;44.12,-43.13,;44.12,-44.66,;42.78,-45.44,;41.45,-44.67,;40.12,-45.43,;38.8,-44.66,;38.8,-43.12,;40.13,-42.36,;41.46,-43.13,;45.45,-45.43,;45.45,-46.97,;46.78,-47.74,;48.12,-46.97,;49.45,-47.73,;50.78,-46.96,;52.12,-47.72,;52.52,-49.2,;54.01,-48.8,;55.35,-49.57,;53.61,-47.31,;48.11,-45.42,;46.77,-44.66,;38.8,-38.51,;37.47,-37.74,)| Show InChI InChI=1S/C33H49N5O4/c1-33(2,3)42-32(41)35-20-25-10-8-24(9-11-25)19-34-31(40)28-18-30(36-29-7-5-4-6-27(28)29)38-16-13-23(14-17-38)12-15-37-21-26(39)22-37/h4-7,18,23-26,39H,8-17,19-22H2,1-3H3,(H,34,40)(H,35,41)/t24-,25-	PDB 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+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC1 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50350739 (CHEMBL1818194) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2ccncc2)CC1 |r,wU:9.8,wD:12.12,(19.57,-29.47,;20.91,-28.69,;20.9,-27.15,;19.57,-27.92,;22.24,-29.46,;23.58,-28.68,;23.57,-27.14,;24.91,-29.45,;24.92,-30.99,;26.26,-31.76,;27.59,-30.98,;28.92,-31.76,;28.92,-33.3,;30.25,-34.07,;30.25,-35.62,;31.58,-36.39,;32.92,-35.62,;31.58,-37.93,;32.91,-38.69,;32.91,-40.23,;31.57,-41,;30.24,-40.23,;28.92,-40.99,;27.59,-40.23,;27.59,-38.69,;28.93,-37.93,;30.25,-38.7,;34.24,-40.99,;34.24,-42.54,;35.58,-43.3,;36.91,-42.53,;36.91,-40.98,;35.57,-40.22,;27.59,-34.06,;26.26,-33.3,)| Show InChI InChI=1S/C28H34N4O3/c1-28(2,3)35-27(34)31-18-20-10-8-19(9-11-20)17-30-26(33)23-16-25(21-12-14-29-15-13-21)32-24-7-5-4-6-22(23)24/h4-7,12-16,19-20H,8-11,17-18H2,1-3H3,(H,30,33)(H,31,34)/t19-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC1 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50389657 (CHEMBL2069803) Show SMILES C1CCC(CC1)c1nc(no1)-c1ccncc1 Show InChI InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19 coexpressed in Escherichia coli				J Med Chem 55: 1817-30 (2012) Article DOI: 10.1021/jm2013248 BindingDB Entry DOI: 10.7270/Q2XK8GMR
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50350747 (CHEMBL1818296) Show SMILES CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(43.4,-32.84,;43.39,-31.3,;44.72,-30.52,;42.06,-30.53,;42.05,-28.99,;40.71,-28.23,;39.38,-29,;38.05,-28.23,;38.04,-26.69,;39.37,-25.92,;40.71,-26.68,;36.72,-25.92,;36.71,-24.39,;35.38,-23.63,;35.38,-22.09,;36.72,-21.32,;34.05,-21.31,;34.05,-19.77,;32.72,-19,;32.72,-17.46,;31.39,-16.68,;30.06,-17.46,;28.73,-16.7,;28.72,-15.15,;27.38,-14.39,;27.38,-12.85,;26.05,-15.16,;24.72,-14.4,;23.38,-15.17,;24.71,-12.86,;23.38,-13.62,;30.06,-19,;31.39,-19.77,;34.05,-24.39,;32.73,-23.62,;31.4,-24.38,;31.4,-25.92,;32.72,-26.69,;34.04,-25.93,;35.38,-26.7,)| Show InChI InChI=1S/C32H49N5O3/c1-32(2,3)40-31(39)34-22-25-12-10-24(11-13-25)21-33-30(38)27-20-29(35-28-9-7-6-8-26(27)28)37-18-15-23(16-19-37)14-17-36(4)5/h6-9,20,23-25H,10-19,21-22H2,1-5H3,(H,33,38)(H,34,39)/t24-,25-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC1 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50350741 (CHEMBL1818290) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCNCC2)CC1 |r,wU:9.8,wD:12.12,(47.1,-29.44,;48.43,-28.67,;48.42,-27.13,;47.09,-27.9,;49.76,-29.44,;51.1,-28.66,;51.09,-27.12,;52.43,-29.43,;52.44,-30.97,;53.78,-31.74,;55.11,-30.96,;56.44,-31.74,;56.44,-33.28,;57.77,-34.05,;57.77,-35.59,;59.1,-36.37,;60.44,-35.6,;59.1,-37.91,;60.43,-38.67,;60.44,-40.21,;59.09,-40.98,;57.76,-40.21,;56.44,-40.97,;55.11,-40.21,;55.11,-38.67,;56.45,-37.9,;57.77,-38.68,;61.76,-40.97,;61.77,-42.52,;63.1,-43.28,;64.44,-42.51,;64.43,-40.96,;63.09,-40.2,;55.11,-34.04,;53.78,-33.28,)| Show InChI InChI=1S/C27H39N5O3/c1-27(2,3)35-26(34)30-18-20-10-8-19(9-11-20)17-29-25(33)22-16-24(32-14-12-28-13-15-32)31-23-7-5-4-6-21(22)23/h4-7,16,19-20,28H,8-15,17-18H2,1-3H3,(H,29,33)(H,30,34)/t19-,20-	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair

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