Compile Data Set for Download or QSAR

Found 3377 hits with Last Name = 'satoh' and Initial = 'y'   

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
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50364378 (CHEMBL1950289) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of hexa-His-tagged JNK2 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea...				Bioorg Med Chem Lett 22: 1433-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.027 BindingDB Entry DOI: 10.7270/Q2C829SK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50364378 (CHEMBL1950289) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me...				Bioorg Med Chem Lett 22: 1433-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.027 BindingDB Entry DOI: 10.7270/Q2C829SK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholecystokinin receptor type A (RAT)	BDBM50005463 ((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes				Bioorg Med Chem Lett 7: 169-174 (1997) Article DOI: 10.1016/S0960-894X(96)00609-9 BindingDB Entry DOI: 10.7270/Q27M07ZF
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50070467 (1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...) Show SMILES Fc1ccccc1C1=NC(NC(=O)Nc2cccc(c2)-c2nnn[nH]2)C(=O)N(CC(=O)N2CC3CCC(CC3)C2)c2ccccc12 |t:8,(1.42,-6,;-.06,-6.42,;-.53,-7.87,;-2.05,-8.21,;-3.07,-7.07,;-2.61,-5.6,;-1.1,-5.28,;-.62,-3.81,;.87,-3.58,;1.59,-2.15,;2.92,-2.92,;4.25,-2.15,;4.27,-.61,;5.58,-2.92,;6.93,-2.17,;8.26,-2.95,;9.59,-2.18,;9.6,-.64,;8.24,.13,;6.93,-.64,;8.24,1.67,;7,2.57,;7.47,4.04,;9.01,4.04,;9.5,2.58,;.92,-.7,;1.87,.51,;-.58,-.4,;-1,1.07,;.05,2.19,;-.37,3.66,;1.55,1.81,;1.24,3.1,;2.22,4.25,;3.8,4.12,;4.65,2.79,;4.13,1.39,;3.69,3.12,;2.2,2.71,;2.88,1.05,;-1.56,-1.34,;-2.89,-.57,;-4.22,-1.35,;-4.22,-2.89,;-2.89,-3.66,;-1.56,-2.9,)| Show InChI InChI=1S/C33H32FN9O3/c34-26-10-3-1-8-24(26)29-25-9-2-4-11-27(25)43(19-28(44)42-17-20-12-13-21(18-42)15-14-20)32(45)31(36-29)37-33(46)35-23-7-5-6-22(16-23)30-38-40-41-39-30/h1-11,16,20-21,31H,12-15,17-19H2,(H2,35,37,46)(H,38,39,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0870	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of 124 I-CCK-8 binding at Cholecystokinin type B receptor on guinea pig cerebral cortical membranes				Bioorg Med Chem Lett 8: 1449-54 (1999) BindingDB Entry DOI: 10.7270/Q28P5ZMJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50290398 (1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...) Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3ccccc3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:11,(11,-6.73,;10.23,-8.06,;11,-9.39,;10.23,-10.71,;8.7,-10.71,;7.96,-9.39,;6.61,-8.62,;5.28,-9.39,;5.3,-10.93,;3.94,-8.64,;2.6,-9.42,;1.92,-10.82,;.44,-11.15,;.1,-12.65,;-1.37,-13.13,;-1.73,-14.65,;-.58,-15.7,;.89,-15.22,;1.24,-13.72,;2.71,-13.24,;-.77,-10.2,;-2.12,-11,;-3.47,-10.23,;-3.47,-8.66,;-2.12,-7.89,;-.77,-8.66,;.36,-7.63,;-.28,-6.21,;.61,-4.95,;2.15,-5.11,;,-3.55,;.99,-2.36,;.68,-.85,;-.7,-.15,;-2.09,-.79,;-2.47,-2.29,;-1,-2.67,;-.77,-1.17,;-1.54,-3.51,;1.92,-8.03,;2.88,-6.82,;8.7,-8.06,)| Show InChI InChI=1S/C33H34FN5O3/c1-21-7-6-8-24(17-21)35-33(42)37-31-32(41)39(20-29(40)38-18-22-13-14-23(19-38)16-15-22)28-12-5-3-10-26(28)30(36-31)25-9-2-4-11-27(25)34/h2-12,17,22-23,31H,13-16,18-20H2,1H3,(H2,35,37,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.0870	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes				Bioorg Med Chem Lett 7: 169-174 (1997) Article DOI: 10.1016/S0960-894X(96)00609-9 BindingDB Entry DOI: 10.7270/Q27M07ZF
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Mus musculus)	BDBM50247081 (CHEMBL4060253) Show SMILES CC(NC(C)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1 Show InChI InChI=1S/C26H25N3O4/c1-16(28-17(2)30)19-8-10-23-24(12-19)33-26(29-23)20-9-11-25(27-14-20)32-22-5-3-4-21(13-22)31-15-18-6-7-18/h3-5,8-14,16,18H,6-7,15H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of mouse His-tagged ACC1 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins followed by subst...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126749 BindingDB Entry DOI: 10.7270/Q2R214TX
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase (Candida albicans (Yeast))	BDBM50100335 (CHEMBL2371681 | RO-09-3655 derivative) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCN(CCN)C(=O)[C@H](CCCN)N(CCN)CCN)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C82H141N19O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-54-41-62(111)92-65(47(5)102)75(117)89-46(4)71(113)91-56(39-51-25-27-52(106)28-26-51)72(114)94-64(45(2)3)80(122)101-44-53(107)40-58(101)73(115)95-67(49(7)104)77(119)96-68(50(8)105)81(123)100-35-29-59(108)70(100)78(120)97-69(60(109)42-61(87)110)74(116)88-43-63(112)93-66(48(6)103)76(118)90-55(82(124)125-54)23-21-34-99(38-33-86)79(121)57(24-20-30-83)98(36-31-84)37-32-85/h25-28,45-50,53-60,64-70,102-109H,9-24,29-44,83-86H2,1-8H3,(H2,87,110)(H,88,116)(H,89,117)(H,90,118)(H,91,113)(H,92,111)(H,93,112)(H,94,114)(H,95,115)(H,96,119)(H,97,120)/t46-,47-,48-,49-,50-,53-,54-,55+,56+,57+,58+,59+,60-,64+,65+,66+,67+,68+,69+,70+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta glucan synthase				Bioorg Med Chem Lett 11: 1273-6 (2001) BindingDB Entry DOI: 10.7270/Q2CN74FQ
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50111656 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3ccc(Cl)c4ccccc34)c2c1 Show InChI InChI=1S/C25H21Cl2N3O3S/c26-16-5-8-22-21(13-16)30(25(33)34-22)14-23(31)29-11-9-15(10-12-29)24(32)28-20-7-6-19(27)17-3-1-2-4-18(17)20/h1-8,13,15H,9-12,14H2,(H,28,32)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for the inhibition of [125I]-PYY binding to HEK 293 cells stably expressed with human neuropeptide NPY Y5 receptor				Bioorg Med Chem Lett 12: 1171-5 (2002) BindingDB Entry DOI: 10.7270/Q26M365J
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase (Candida albicans (Yeast))	BDBM50100338 (CHEMBL267407 | RO-09-3655 derivative) Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCCN)C(=O)[C@@H](CCCN)N(CCN)CCN)C(=O)O1 Show InChI InChI=1S/C83H143N19O24/c1-9-10-11-12-13-14-15-16-17-18-19-23-55-42-63(112)93-66(48(5)103)76(118)90-47(4)72(114)92-57(40-52-26-28-53(107)29-27-52)73(115)95-65(46(2)3)81(123)102-45-54(108)41-59(102)74(116)96-68(50(7)105)78(120)97-69(51(8)106)82(124)101-37-30-60(109)71(101)79(121)98-70(61(110)43-62(88)111)75(117)89-44-64(113)94-67(49(6)104)77(119)91-56(83(125)126-55)24-21-35-100(36-22-32-85)80(122)58(25-20-31-84)99(38-33-86)39-34-87/h26-29,46-51,54-61,65-71,103-110H,9-25,30-45,84-87H2,1-8H3,(H2,88,111)(H,89,117)(H,90,118)(H,91,119)(H,92,114)(H,93,112)(H,94,113)(H,95,115)(H,96,116)(H,97,120)(H,98,121)/t47-,48-,49-,50-,51-,54-,55-,56+,57+,58-,59+,60+,61-,65+,66-,67-,68-,69+,70+,71+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta glucan synthase				Bioorg Med Chem Lett 11: 1273-6 (2001) BindingDB Entry DOI: 10.7270/Q2CN74FQ
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase (Candida albicans (Yeast))	BDBM50100332 (CHEMBL415843 | RO-09-3655 derivative) Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCCN)C(=O)[C@H](CCCN)N(CCN)CCN)C(=O)O1 Show InChI InChI=1S/C83H143N19O24/c1-9-10-11-12-13-14-15-16-17-18-19-23-55-42-63(112)93-66(48(5)103)76(118)90-47(4)72(114)92-57(40-52-26-28-53(107)29-27-52)73(115)95-65(46(2)3)81(123)102-45-54(108)41-59(102)74(116)96-68(50(7)105)78(120)97-69(51(8)106)82(124)101-37-30-60(109)71(101)79(121)98-70(61(110)43-62(88)111)75(117)89-44-64(113)94-67(49(6)104)77(119)91-56(83(125)126-55)24-21-35-100(36-22-32-85)80(122)58(25-20-31-84)99(38-33-86)39-34-87/h26-29,46-51,54-61,65-71,103-110H,9-25,30-45,84-87H2,1-8H3,(H2,88,111)(H,89,117)(H,90,118)(H,91,119)(H,92,114)(H,93,112)(H,94,113)(H,95,115)(H,96,116)(H,97,120)(H,98,121)/t47-,48-,49-,50-,51-,54-,55-,56+,57+,58+,59+,60+,61-,65+,66-,67-,68-,69+,70+,71+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta glucan synthase				Bioorg Med Chem Lett 11: 1273-6 (2001) BindingDB Entry DOI: 10.7270/Q2CN74FQ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50290397 (1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...) Show SMILES CSc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:12,(8.7,-.09,;7.17,-.12,;6.41,-1.43,;7.17,-2.77,;6.41,-4.09,;4.89,-4.09,;4.13,-2.78,;2.59,-2.78,;1.28,-3.54,;1.29,-5.08,;-.06,-2.8,;-1.4,-3.58,;-2.07,-4.98,;-3.55,-5.3,;-3.9,-6.8,;-5.37,-7.29,;-5.72,-8.79,;-4.58,-9.84,;-3.09,-9.36,;-2.76,-7.86,;-1.3,-7.38,;-4.77,-4.36,;-6.11,-5.15,;-7.45,-4.38,;-7.45,-2.82,;-6.11,-2.05,;-6.13,-.5,;-4.77,-2.82,;-3.65,-1.79,;-4.28,-.37,;-3.39,.88,;-1.85,.72,;-4.03,2.27,;-3.02,3.46,;-3.32,4.97,;-4.69,5.67,;-6.09,5.04,;-6.46,3.54,;-4.98,3.14,;-4.77,4.65,;-5.54,2.32,;-2.07,-2.19,;-1.13,-.99,;4.87,-1.45,)| Show InChI InChI=1S/C34H36FN5O3S/c1-21-7-5-11-27-30(26-10-3-4-12-28(26)35)37-32(38-34(43)36-24-8-6-9-25(17-24)44-2)33(42)40(31(21)27)20-29(41)39-18-22-13-14-23(19-39)16-15-22/h3-12,17,22-23,32H,13-16,18-20H2,1-2H3,(H2,36,38,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes				Bioorg Med Chem Lett 7: 169-174 (1997) Article DOI: 10.1016/S0960-894X(96)00609-9 BindingDB Entry DOI: 10.7270/Q27M07ZF
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50290396 (1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...) Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:11,(9.11,-4.37,;8.34,-5.7,;9.11,-7.02,;8.37,-8.34,;6.84,-8.37,;6.07,-7.02,;4.53,-7.02,;3.22,-7.79,;3.22,-9.35,;1.87,-7.06,;.52,-7.82,;-.13,-9.24,;-1.62,-9.58,;-1.97,-11.08,;-3.45,-11.55,;-3.79,-13.05,;-2.65,-14.11,;-1.18,-13.62,;-.83,-12.13,;.64,-11.66,;-2.84,-8.63,;-4.19,-9.4,;-5.54,-8.63,;-5.54,-7.09,;-4.19,-6.29,;-4.2,-4.75,;-2.84,-7.06,;-1.72,-6.04,;-2.35,-4.62,;-1.45,-3.36,;.08,-3.53,;-2.07,-1.97,;-1.09,-.8,;-1.4,.71,;-2.84,.39,;-3.05,-1.1,;-4.54,-.71,;-4.16,.77,;-2.77,1.41,;-3.61,-1.93,;-.16,-6.44,;.82,-5.23,;6.83,-5.72,)| Show InChI InChI=1S/C34H36FN5O3/c1-21-7-5-9-25(17-21)36-34(43)38-32-33(42)40(20-29(41)39-18-23-13-14-24(19-39)16-15-23)31-22(2)8-6-11-27(31)30(37-32)26-10-3-4-12-28(26)35/h3-12,17,23-24,32H,13-16,18-20H2,1-2H3,(H2,36,38,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes				Bioorg Med Chem Lett 7: 169-174 (1997) Article DOI: 10.1016/S0960-894X(96)00609-9 BindingDB Entry DOI: 10.7270/Q27M07ZF
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50110571 (CHEMBL167991 | FR-230481 | Naphthalene-1-sulfonic ...) Show SMILES COc1ccc2CCCC(O)(CNCC3CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1 Show InChI InChI=1S/C30H39N3O4S/c1-37-26-12-11-25-8-5-15-30(34,28(25)20-26)22-31-21-23-13-17-33(18-14-23)19-16-32-38(35,36)29-10-4-7-24-6-2-3-9-27(24)29/h2-4,6-7,9-12,20,23,31-32,34H,5,8,13-19,21-22H2,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of 125 I-PYY binding to human Neuropeptide Y receptor type 5				Bioorg Med Chem Lett 12: 799-802 (2002) BindingDB Entry DOI: 10.7270/Q2M044R7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50247130 (CHEMBL4073202) Show SMILES C[C@@H](COc1cnc(o1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1)NC(N)=O |r| Show InChI InChI=1S/C23H25N3O5/c1-15(26-23(24)27)13-29-21-12-25-22(31-21)17-7-9-18(10-8-17)30-20-4-2-3-19(11-20)28-14-16-5-6-16/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H3,24,26,27)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human ACC1 expressed in SF-9 cells preincubated for 60 mins followed by addition of substrate solution containing acetyl-Co...				J Med Chem 61: 1098-1117 (2018) Article DOI: 10.1021/acs.jmedchem.7b01547 BindingDB Entry DOI: 10.7270/Q2HQ429W
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50111644 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES CC(=O)c1cccc(NC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)c1 Show InChI InChI=1S/C23H22ClN3O4S/c1-14(28)16-3-2-4-18(11-16)25-22(30)15-7-9-26(10-8-15)21(29)13-27-19-12-17(24)5-6-20(19)32-23(27)31/h2-6,11-12,15H,7-10,13H2,1H3,(H,25,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of total specific binding of [125I]- -PYY to HEK 293 cells transfected with the Human NPY-Y5 cDNA (compound prepared by para...				Bioorg Med Chem Lett 12: 1171-5 (2002) BindingDB Entry DOI: 10.7270/Q26M365J
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50111645 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES Fc1ccc(NC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)cc1C(F)(F)F Show InChI InChI=1S/C22H18ClF4N3O3S/c23-13-1-4-18-17(9-13)30(21(33)34-18)11-19(31)29-7-5-12(6-8-29)20(32)28-14-2-3-16(24)15(10-14)22(25,26)27/h1-4,9-10,12H,5-8,11H2,(H,28,32)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of total specific binding of [125I]- -PYY to HEK 293 cells transfected with Human NPY-Y5 cDNA (compound prepared by manual s...				Bioorg Med Chem Lett 12: 1171-5 (2002) BindingDB Entry DOI: 10.7270/Q26M365J
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase (Candida albicans (Yeast))	BDBM50100333 (CHEMBL2371765 | RO-09-3655 derivative) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCNC(=O)[C@@H](CCCN)N(CCN)CCN)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C80H136N18O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-52-39-60(108)90-63(45(5)99)74(115)87-44(4)69(110)89-54(37-49-25-27-50(103)28-26-49)70(111)92-62(43(2)3)78(119)98-42-51(104)38-56(98)72(113)93-65(47(7)101)76(117)94-66(48(8)102)79(120)97-34-29-57(105)68(97)77(118)95-67(58(106)40-59(84)107)73(114)86-41-61(109)91-64(46(6)100)75(116)88-53(80(121)122-52)23-21-33-85-71(112)55(24-20-30-81)96(35-31-82)36-32-83/h25-28,43-48,51-58,62-68,99-106H,9-24,29-42,81-83H2,1-8H3,(H2,84,107)(H,85,112)(H,86,114)(H,87,115)(H,88,116)(H,89,110)(H,90,108)(H,91,109)(H,92,111)(H,93,113)(H,94,117)(H,95,118)/t44-,45-,46-,47-,48-,51-,52-,53+,54+,55-,56+,57+,58-,62+,63+,64+,65+,66+,67+,68+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta glucan synthase				Bioorg Med Chem Lett 11: 1273-6 (2001) BindingDB Entry DOI: 10.7270/Q2CN74FQ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50070464 (1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...) Show SMILES Fc1ccccc1C1=NC(NC(=O)Nc2cccc(c2)-c2nnn[nH]2)C(=O)N(CC(=O)N2CC3CCC(CC3)C2)c2c(Cl)cccc12 |t:8,(1.83,-5.95,;.33,-6.36,;-.13,-7.82,;-1.63,-8.15,;-2.68,-7.01,;-2.21,-5.54,;-.69,-5.21,;-.23,-3.76,;1.28,-3.51,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.34,-2.11,;8.67,-2.88,;10,-2.12,;10,-.58,;8.66,.2,;7.34,-.57,;8.66,1.74,;7.41,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.33,-.64,;2.27,.58,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;3.29,1.11,;4.53,1.46,;5.05,2.86,;4.21,4.17,;2.62,4.31,;2.61,2.77,;4.09,3.17,;1.64,3.17,;-1.14,-1.28,;-2.49,-.51,;-2.49,1.03,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,)| Show InChI InChI=1S/C33H31ClFN9O3/c34-25-9-4-8-24-28(23-7-1-2-10-26(23)35)37-31(38-33(47)36-22-6-3-5-21(15-22)30-39-41-42-40-30)32(46)44(29(24)25)18-27(45)43-16-19-11-12-20(17-43)14-13-19/h1-10,15,19-20,31H,11-14,16-18H2,(H2,36,38,47)(H,39,40,41,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of 124 I-CCK-8 binding at CCK-B receptorCholecystokinin type B receptorcerebral cortical membranes				Bioorg Med Chem Lett 8: 1449-54 (1999) BindingDB Entry DOI: 10.7270/Q28P5ZMJ
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50290400 (1H-Indole-2-carboxylic acid [(S)-1-(2-fluoro-pheny...) Show SMILES Fc1ccccc1C1=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 |t:8| Show InChI InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes				Bioorg Med Chem Lett 7: 169-174 (1997) Article DOI: 10.1016/S0960-894X(96)00609-9 BindingDB Entry DOI: 10.7270/Q27M07ZF
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50070466 (1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...) Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:43,(-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.53,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.33,-2.11,;8.66,-2.88,;9.99,-2.12,;9.99,-.58,;8.66,.2,;7.33,-.57,;8.66,1.74,;7.4,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.35,;1.83,-5.95,)| Show InChI InChI=1S/C34H34FN9O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-32(38-34(47)36-24-8-5-7-23(16-24)31-39-41-42-40-31)33(46)44(30(20)26)19-28(45)43-17-21-12-13-22(18-43)15-14-21/h2-11,16,21-22,32H,12-15,17-19H2,1H3,(H2,36,38,47)(H,39,40,41,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of 124 I-CCK-8 binding at Cholecystokinin type B receptor on guinea pig cerebral cortical membranes				Bioorg Med Chem Lett 8: 1449-54 (1999) BindingDB Entry DOI: 10.7270/Q28P5ZMJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50070466 (1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...) Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:43,(-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.53,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.33,-2.11,;8.66,-2.88,;9.99,-2.12,;9.99,-.58,;8.66,.2,;7.33,-.57,;8.66,1.74,;7.4,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.35,;1.83,-5.95,)| Show InChI InChI=1S/C34H34FN9O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-32(38-34(47)36-24-8-5-7-23(16-24)31-39-41-42-40-31)33(46)44(30(20)26)19-28(45)43-17-21-12-13-22(18-43)15-14-21/h2-11,16,21-22,32H,12-15,17-19H2,1H3,(H2,36,38,47)(H,39,40,41,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type A receptor of rat pancreatic membranes				Bioorg Med Chem Lett 7: 169-174 (1997) Article DOI: 10.1016/S0960-894X(96)00609-9 BindingDB Entry DOI: 10.7270/Q27M07ZF
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50111645 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES Fc1ccc(NC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)cc1C(F)(F)F Show InChI InChI=1S/C22H18ClF4N3O3S/c23-13-1-4-18-17(9-13)30(21(33)34-18)11-19(31)29-7-5-12(6-8-29)20(32)28-14-2-3-16(24)15(10-14)22(25,26)27/h1-4,9-10,12H,5-8,11H2,(H,28,32)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of total specific binding of [125I]- -PYY to HEK 293 cells transfected with the Human NPY-Y5 cDNA (compound prepared by para...				Bioorg Med Chem Lett 12: 1171-5 (2002) BindingDB Entry DOI: 10.7270/Q26M365J
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50110562 (5-Chloro-3-(2-{4-[(3-methoxy-6,7,8,9-tetrahydro-5H...) Show SMILES COc1ccc2CCCC(Cc2c1)NCC1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O Show InChI InChI=1S/C27H32ClN3O3S/c1-34-23-7-5-19-3-2-4-22(13-20(19)14-23)29-16-18-9-11-30(12-10-18)26(32)17-31-24-15-21(28)6-8-25(24)35-27(31)33/h5-8,14-15,18,22,29H,2-4,9-13,16-17H2,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of 125 I-PYY binding to human Neuropeptide Y receptor type 5				Bioorg Med Chem Lett 12: 799-802 (2002) BindingDB Entry DOI: 10.7270/Q2M044R7
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50111646 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3cccc4ccccc34)c2c1 Show InChI InChI=1S/C25H22ClN3O3S/c26-18-8-9-22-21(14-18)29(25(32)33-22)15-23(30)28-12-10-17(11-13-28)24(31)27-20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14,17H,10-13,15H2,(H,27,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of total specific binding of [125I]- -PYY to HEK 293 cells transfected with the Human NPY-Y5 cDNA (compound prepared by para...				Bioorg Med Chem Lett 12: 1171-5 (2002) BindingDB Entry DOI: 10.7270/Q26M365J
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50247081 (CHEMBL4060253) Show SMILES CC(NC(C)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1 Show InChI InChI=1S/C26H25N3O4/c1-16(28-17(2)30)19-8-10-23-24(12-19)33-26(29-23)20-9-11-25(27-14-20)32-22-5-3-4-21(13-22)31-15-18-6-7-18/h3-5,8-14,16,18H,6-7,15H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of ACC1 in human HCT116 cells assessed as reduction of [14C]acetate uptake preincubated for 60 mins followed by addition of [14C]acetate a...				J Med Chem 61: 1098-1117 (2018) Article DOI: 10.1021/acs.jmedchem.7b01547 BindingDB Entry DOI: 10.7270/Q2HQ429W
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50070465 (1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...) Show SMILES CCc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:44,(-3.82,1.79,;-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.54,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.68,-.56,;6,-2.87,;7.34,-2.11,;8.67,-2.88,;10,-2.12,;10,-.58,;8.66,.2,;7.34,-.57,;8.66,1.74,;7.41,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.36,;1.83,-5.95,)| Show InChI InChI=1S/C35H36FN9O3/c1-2-23-7-6-11-27-30(26-10-3-4-12-28(26)36)38-33(39-35(48)37-25-9-5-8-24(17-25)32-40-42-43-41-32)34(47)45(31(23)27)20-29(46)44-18-21-13-14-22(19-44)16-15-21/h3-12,17,21-22,33H,2,13-16,18-20H2,1H3,(H2,37,39,48)(H,40,41,42,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of 124 I-CCK-8 binding at Cholecystokinin type B receptor on guinea pig cerebral cortical membranes				Bioorg Med Chem Lett 8: 1449-54 (1999) BindingDB Entry DOI: 10.7270/Q28P5ZMJ
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase (Candida albicans (Yeast))	BDBM50100331 (CHEMBL2371715 | RO-09-3655 derivative) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCN(CCCN)C(=O)[C@H](N)CCCN)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C79H133N17O24/c1-9-10-11-12-13-14-15-16-17-18-19-23-51-38-59(106)88-62(44(5)97)72(112)85-43(4)68(108)87-54(36-48-26-28-49(101)29-27-48)69(109)90-61(42(2)3)77(117)96-41-50(102)37-55(96)70(110)91-64(46(7)99)74(114)92-65(47(8)100)78(118)95-35-30-56(103)67(95)75(115)93-66(57(104)39-58(83)105)71(111)84-40-60(107)89-63(45(6)98)73(113)86-53(79(119)120-51)25-21-33-94(34-22-32-81)76(116)52(82)24-20-31-80/h26-29,42-47,50-57,61-67,97-104H,9-25,30-41,80-82H2,1-8H3,(H2,83,105)(H,84,111)(H,85,112)(H,86,113)(H,87,108)(H,88,106)(H,89,107)(H,90,109)(H,91,110)(H,92,114)(H,93,115)/t43-,44-,45-,46-,47-,50-,51-,52-,53+,54+,55+,56+,57-,61+,62+,63+,64+,65+,66+,67+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta glucan synthase				Bioorg Med Chem Lett 11: 1273-6 (2001) BindingDB Entry DOI: 10.7270/Q2CN74FQ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50290401 (1-(3-Acetyl-phenyl)-3-[1-[2-(3-aza-bicyclo[3.2.2]n...) Show SMILES CC(=O)c1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:13,(12.91,-6.84,;11.37,-6.87,;10.58,-5.54,;10.6,-8.2,;11.37,-9.53,;10.6,-10.86,;9.08,-10.86,;8.33,-9.54,;6.79,-9.54,;5.47,-10.31,;5.47,-11.85,;4.11,-9.57,;2.78,-10.34,;2.11,-11.74,;.61,-12.07,;.28,-13.59,;-1.21,-14.07,;-1.56,-15.57,;-.4,-16.62,;1.08,-16.14,;1.42,-14.64,;2.88,-14.16,;-.6,-11.14,;-1.95,-11.92,;-3.28,-11.15,;-3.28,-9.6,;-1.95,-8.8,;-1.98,-7.26,;-.6,-9.57,;.54,-8.55,;-.11,-7.12,;.79,-5.89,;2.33,-6.03,;.15,-4.48,;-1.37,-4.44,;-2.29,-3.2,;-1.91,-1.71,;-.53,-1.07,;.85,-1.78,;-.6,-2.1,;-.81,-3.6,;1.17,-3.29,;2.11,-8.96,;3.06,-7.75,;9.06,-8.22,)| Show InChI InChI=1S/C35H36FN5O4/c1-21-7-5-11-28-31(27-10-3-4-12-29(27)36)38-33(39-35(45)37-26-9-6-8-25(17-26)22(2)42)34(44)41(32(21)28)20-30(43)40-18-23-13-14-24(19-40)16-15-23/h3-12,17,23-24,33H,13-16,18-20H2,1-2H3,(H2,37,39,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes				Bioorg Med Chem Lett 7: 169-174 (1997) Article DOI: 10.1016/S0960-894X(96)00609-9 BindingDB Entry DOI: 10.7270/Q27M07ZF
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50111647 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1 Show InChI InChI=1S/C27H24ClN3O4S/c28-19-6-11-24-23(16-19)31(27(34)36-24)17-25(32)30-14-12-18(13-15-30)26(33)29-20-7-9-22(10-8-20)35-21-4-2-1-3-5-21/h1-11,16,18H,12-15,17H2,(H,29,33)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of total specific binding of [125I]- -PYY to HEK 293 cells transfected with the Human NPY-Y5 cDNA (compound prepared by para...				Bioorg Med Chem Lett 12: 1171-5 (2002) BindingDB Entry DOI: 10.7270/Q26M365J
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50111641 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3cccc(c3)C(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C28H24ClN3O4S/c29-21-9-10-24-23(16-21)32(28(36)37-24)17-25(33)31-13-11-19(12-14-31)27(35)30-22-8-4-7-20(15-22)26(34)18-5-2-1-3-6-18/h1-10,15-16,19H,11-14,17H2,(H,30,35)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of total specific binding of [125I]- -PYY to HEK 293 cells transfected with Human NPY-Y5 cDNA (compound prepared by manual s...				Bioorg Med Chem Lett 12: 1171-5 (2002) BindingDB Entry DOI: 10.7270/Q26M365J
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase (Candida albicans (Yeast))	BDBM50100329 (CHEMBL2371727 | RO-09-3655 derivative) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCN(CCCN)C(=O)[C@@H](N)CCCN)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C79H133N17O24/c1-9-10-11-12-13-14-15-16-17-18-19-23-51-38-59(106)88-62(44(5)97)72(112)85-43(4)68(108)87-54(36-48-26-28-49(101)29-27-48)69(109)90-61(42(2)3)77(117)96-41-50(102)37-55(96)70(110)91-64(46(7)99)74(114)92-65(47(8)100)78(118)95-35-30-56(103)67(95)75(115)93-66(57(104)39-58(83)105)71(111)84-40-60(107)89-63(45(6)98)73(113)86-53(79(119)120-51)25-21-33-94(34-22-32-81)76(116)52(82)24-20-31-80/h26-29,42-47,50-57,61-67,97-104H,9-25,30-41,80-82H2,1-8H3,(H2,83,105)(H,84,111)(H,85,112)(H,86,113)(H,87,108)(H,88,106)(H,89,107)(H,90,109)(H,91,110)(H,92,114)(H,93,115)/t43-,44-,45-,46-,47-,50-,51-,52+,53+,54+,55+,56+,57-,61+,62+,63+,64+,65+,66+,67+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta glucan synthase				Bioorg Med Chem Lett 11: 1273-6 (2001) BindingDB Entry DOI: 10.7270/Q2CN74FQ
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase (Candida albicans (Yeast))	BDBM50100337 (CHEMBL2371766 | RO-09-3655 derivative) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCNC(=O)[C@H](CCCN)N(CCN)CCN)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C80H136N18O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-52-39-60(108)90-63(45(5)99)74(115)87-44(4)69(110)89-54(37-49-25-27-50(103)28-26-49)70(111)92-62(43(2)3)78(119)98-42-51(104)38-56(98)72(113)93-65(47(7)101)76(117)94-66(48(8)102)79(120)97-34-29-57(105)68(97)77(118)95-67(58(106)40-59(84)107)73(114)86-41-61(109)91-64(46(6)100)75(116)88-53(80(121)122-52)23-21-33-85-71(112)55(24-20-30-81)96(35-31-82)36-32-83/h25-28,43-48,51-58,62-68,99-106H,9-24,29-42,81-83H2,1-8H3,(H2,84,107)(H,85,112)(H,86,114)(H,87,115)(H,88,116)(H,89,110)(H,90,108)(H,91,109)(H,92,111)(H,93,113)(H,94,117)(H,95,118)/t44-,45-,46-,47-,48-,51-,52-,53+,54+,55+,56+,57+,58-,62+,63+,64+,65+,66+,67+,68+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta glucan synthase				Bioorg Med Chem Lett 11: 1273-6 (2001) BindingDB Entry DOI: 10.7270/Q2CN74FQ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50247112 (CHEMBL4085633) Show SMILES C[C@@H](COc1cnc(o1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1)NC(C)=O |r| Show InChI InChI=1S/C24H26N2O5/c1-16(26-17(2)27)14-29-23-13-25-24(31-23)19-8-10-20(11-9-19)30-22-5-3-4-21(12-22)28-15-18-6-7-18/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,26,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human ACC1 expressed in SF-9 cells preincubated for 60 mins followed by addition of substrate solution containing acetyl-Co...				J Med Chem 61: 1098-1117 (2018) Article DOI: 10.1021/acs.jmedchem.7b01547 BindingDB Entry DOI: 10.7270/Q2HQ429W
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50247114 (CHEMBL4086127) Show SMILES C[C@@H](COc1cnc(o1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1)NC(C)=O |r| Show InChI InChI=1S/C23H25N3O5/c1-15(26-16(2)27)13-29-22-12-25-23(31-22)18-8-9-21(24-11-18)30-20-5-3-4-19(10-20)28-14-17-6-7-17/h3-5,8-12,15,17H,6-7,13-14H2,1-2H3,(H,26,27)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human ACC1 expressed in SF-9 cells preincubated for 60 mins followed by addition of substrate solution containing acetyl-Co...				J Med Chem 61: 1098-1117 (2018) Article DOI: 10.1021/acs.jmedchem.7b01547 BindingDB Entry DOI: 10.7270/Q2HQ429W
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50290399 (3-{3-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-et...) Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)C(O)=O)N=C2c1ccccc1F |c:40,(-1.23,-7.79,;-1.21,-9.34,;-2.54,-10.13,;-2.54,-11.67,;-1.21,-12.44,;.15,-11.67,;.15,-10.11,;1.28,-9.08,;.64,-7.66,;1.54,-6.42,;3.08,-6.56,;.89,-5,;-.62,-4.97,;-1.54,-3.74,;-.07,-4.14,;.15,-2.62,;1.59,-2.31,;.22,-1.59,;-1.17,-2.25,;1.91,-3.81,;2.85,-9.48,;3.8,-8.27,;3.52,-10.88,;4.86,-10.09,;6.21,-10.83,;6.21,-12.37,;7.54,-10.06,;9.08,-10.06,;9.83,-11.39,;11.35,-11.39,;12.12,-10.06,;11.35,-8.73,;9.81,-8.75,;12.12,-7.4,;13.66,-7.38,;11.32,-6.07,;2.85,-12.28,;1.36,-12.61,;1.03,-14.11,;-.46,-14.59,;-.81,-16.11,;.35,-17.16,;1.83,-16.67,;2.17,-15.17,;3.62,-14.68,)| Show InChI InChI=1S/C34H34FN5O5/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-31(38-34(45)36-24-8-5-7-23(16-24)33(43)44)32(42)40(30(20)26)19-28(41)39-17-21-12-13-22(18-39)15-14-21/h2-11,16,21-22,31H,12-15,17-19H2,1H3,(H,43,44)(H2,36,38,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes				Bioorg Med Chem Lett 7: 169-174 (1997) Article DOI: 10.1016/S0960-894X(96)00609-9 BindingDB Entry DOI: 10.7270/Q27M07ZF
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50110567 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES COc1ccc2CCCC(O)(CNC(=O)C3CCN(CC3)C(=O)Cn3c4cc(Cl)ccc4sc3=O)c2c1 Show InChI InChI=1S/C27H30ClN3O5S/c1-36-20-6-4-17-3-2-10-27(35,21(17)14-20)16-29-25(33)18-8-11-30(12-9-18)24(32)15-31-22-13-19(28)5-7-23(22)37-26(31)34/h4-7,13-14,18,35H,2-3,8-12,15-16H2,1H3,(H,29,33)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of 125 I-PYY binding to human Neuropeptide Y receptor type 5				Bioorg Med Chem Lett 12: 799-802 (2002) BindingDB Entry DOI: 10.7270/Q2M044R7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50578357 (CHEMBL4856984) Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@](C)(O)C2)n1 |r,wU:5.8,18.18,wD:22.23,2.1,(1.13,-3.13,;2.47,-2.37,;3.8,-3.14,;3.79,-4.69,;5.12,-5.47,;6.45,-4.69,;6.46,-3.15,;5.13,-2.38,;7.78,-5.46,;9.12,-4.69,;9.12,-3.15,;10.45,-2.38,;11.79,-3.14,;13.11,-2.37,;14.45,-3.13,;13.11,-.83,;11.79,-4.69,;13.13,-5.45,;13.14,-6.99,;11.81,-7.76,;11.81,-9.29,;13.15,-10.06,;14.47,-9.29,;15.24,-10.62,;16.01,-9.29,;14.48,-7.75,;10.45,-5.47,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01716 BindingDB Entry DOI: 10.7270/Q22Z19CX
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50064106 (CGS-26303 | CHEMBL290698 | {[(R)-2-Biphenyl-4-yl-1...) Show SMILES OP(O)(=O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1 Show InChI InChI=1S/C16H18N5O3P/c22-25(23,24)11-17-15(16-18-20-21-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H2,22,23,24)(H,18,19,20,21)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of rat neutral endopeptidase				J Med Chem 43: 488-504 (2000) BindingDB Entry DOI: 10.7270/Q21G0MZR
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50290402 (1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...) Show SMILES COc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:12,(17.75,-5.91,;16.21,-5.93,;15.45,-7.26,;16.22,-8.59,;15.45,-9.92,;13.93,-9.92,;13.16,-8.61,;11.62,-8.61,;10.31,-9.38,;10.32,-10.92,;8.96,-8.63,;7.63,-9.41,;6.95,-10.81,;5.47,-11.13,;5.12,-12.65,;3.65,-13.13,;3.3,-14.63,;4.44,-15.68,;5.92,-15.21,;6.26,-13.7,;7.72,-13.22,;4.24,-10.2,;2.9,-10.99,;1.56,-10.22,;1.56,-8.66,;2.9,-7.87,;2.88,-6.33,;4.24,-8.64,;5.37,-7.61,;4.73,-6.19,;5.63,-4.95,;7.17,-5.09,;4.99,-3.55,;6,-2.36,;5.7,-.85,;4.24,-1.17,;4.04,-2.67,;2.55,-2.27,;2.92,-.78,;4.32,-.14,;3.48,-3.51,;6.95,-8.02,;7.89,-6.81,;13.91,-7.29,)| Show InChI InChI=1S/C34H36FN5O4/c1-21-7-5-11-27-30(26-10-3-4-12-28(26)35)37-32(38-34(43)36-24-8-6-9-25(17-24)44-2)33(42)40(31(21)27)20-29(41)39-18-22-13-14-23(19-39)16-15-22/h3-12,17,22-23,32H,13-16,18-20H2,1-2H3,(H2,36,38,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes				Bioorg Med Chem Lett 7: 169-174 (1997) Article DOI: 10.1016/S0960-894X(96)00609-9 BindingDB Entry DOI: 10.7270/Q27M07ZF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50578360 (CHEMBL4849353) Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,(62.95,-4.56,;64.29,-3.79,;65.62,-4.57,;65.61,-6.11,;66.95,-6.89,;68.27,-6.12,;68.28,-4.58,;66.96,-3.81,;69.61,-6.89,;70.94,-6.12,;70.94,-4.57,;72.27,-3.8,;73.61,-4.57,;74.94,-3.79,;76.27,-4.55,;74.93,-2.25,;73.62,-6.11,;74.95,-6.87,;74.96,-8.41,;73.53,-9.12,;73.24,-10.59,;74.17,-11.79,;75.64,-11.83,;76.67,-10.59,;78.16,-10.97,;76.35,-9.09,;72.27,-6.89,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01716 BindingDB Entry DOI: 10.7270/Q22Z19CX
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50111650 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES OC(CNC(=O)C1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O)c1ccccc1 Show InChI InChI=1S/C23H24ClN3O4S/c24-17-6-7-20-18(12-17)27(23(31)32-20)14-21(29)26-10-8-16(9-11-26)22(30)25-13-19(28)15-4-2-1-3-5-15/h1-7,12,16,19,28H,8-11,13-14H2,(H,25,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of total specific binding of [125I]- -PYY to HEK 293 cells transfected with the Human NPY-Y5 cDNA (compound prepared by para...				Bioorg Med Chem Lett 12: 1171-5 (2002) BindingDB Entry DOI: 10.7270/Q26M365J
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50110569 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES COc1ccc2CCCC(CNC(=O)C3CCN(CC3)C(=O)Cn3c4cc(Cl)ccc4sc3=O)Cc2c1 Show InChI InChI=1S/C28H32ClN3O4S/c1-36-23-7-5-19-4-2-3-18(13-21(19)14-23)16-30-27(34)20-9-11-31(12-10-20)26(33)17-32-24-15-22(29)6-8-25(24)37-28(32)35/h5-8,14-15,18,20H,2-4,9-13,16-17H2,1H3,(H,30,34)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of 125 I-PYY binding to human Neuropeptide Y receptor type 5				Bioorg Med Chem Lett 12: 799-802 (2002) BindingDB Entry DOI: 10.7270/Q2M044R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50267928 (CHEMBL4066506) Show SMILES OCc1nsc(n1)-c1ccc(nn1)N1CCC(CC1)(c1ccc(cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6N5OS/c21-19(22,23)13-3-1-12(2-4-13)18(20(24,25)26)7-9-31(10-8-18)16-6-5-14(28-29-16)17-27-15(11-32)30-33-17/h1-6,32H,7-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com. Curated by ChEMBL					Assay Description Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...				Bioorg Med Chem 25: 3768-3779 (2017) Article DOI: 10.1016/j.bmc.2017.05.016 BindingDB Entry DOI: 10.7270/Q2Z60RJN
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50111650 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES OC(CNC(=O)C1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O)c1ccccc1 Show InChI InChI=1S/C23H24ClN3O4S/c24-17-6-7-20-18(12-17)27(23(31)32-20)14-21(29)26-10-8-16(9-11-26)22(30)25-13-19(28)15-4-2-1-3-5-15/h1-7,12,16,19,28H,8-11,13-14H2,(H,25,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of total specific binding of [125I]- -PYY to HEK 293 cells transfected with Human NPY-Y5 cDNA (compound prepared by manual s...				Bioorg Med Chem Lett 12: 1171-5 (2002) BindingDB Entry DOI: 10.7270/Q26M365J
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50111649 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES CCCCCCCCCCNC(=O)C1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O Show InChI InChI=1S/C25H36ClN3O3S/c1-2-3-4-5-6-7-8-9-14-27-24(31)19-12-15-28(16-13-19)23(30)18-29-21-17-20(26)10-11-22(21)33-25(29)32/h10-11,17,19H,2-9,12-16,18H2,1H3,(H,27,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of total specific binding of [125I]- -PYY to HEK 293 cells transfected with Human NPY-Y5 cDNA (compound prepared by manual s...				Bioorg Med Chem Lett 12: 1171-5 (2002) BindingDB Entry DOI: 10.7270/Q26M365J
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase (Candida albicans (Yeast))	BDBM50366679 (CHEMBL1793852 | MK-991) Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](O)CCN Show InChI InChI=1S/C52H88N10O15/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-40(69)56-35-25-39(68)46(55-21-20-54)60-49(74)37-24-34(66)27-62(37)52(77)42(38(67)18-19-53)58-50(75)43(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)36-23-33(65)26-61(36)51(76)41(30(4)63)57-47(35)72/h14-17,28-30,33-39,41-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,75)(H,59,73)(H,60,74)/t28?,29?,30-,33-,34-,35-,36+,37+,38+,39-,41+,42+,43+,44+,45+,46+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta glucan synthase				Bioorg Med Chem Lett 11: 1273-6 (2001) BindingDB Entry DOI: 10.7270/Q2CN74FQ
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase (Candida albicans (Yeast))	BDBM50100336 (CHEMBL405487 | RO-09-3655 derivative) Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCN)CCN)C(=O)O1 Show InChI InChI=1S/C75H126N16O23/c1-9-10-11-12-13-14-15-16-17-18-19-21-49-36-56(101)83-59(42(5)92)69(107)80-41(4)65(103)82-51(34-46-23-25-47(96)26-24-46)66(104)85-58(40(2)3)73(111)91-39-48(97)35-52(91)67(105)86-61(44(7)94)71(109)87-62(45(8)95)74(112)90-31-27-53(98)64(90)72(110)88-63(54(99)37-55(78)100)68(106)79-38-57(102)84-60(43(6)93)70(108)81-50(75(113)114-49)22-20-30-89(32-28-76)33-29-77/h23-26,40-45,48-54,58-64,92-99H,9-22,27-39,76-77H2,1-8H3,(H2,78,100)(H,79,106)(H,80,107)(H,81,108)(H,82,103)(H,83,101)(H,84,102)(H,85,104)(H,86,105)(H,87,109)(H,88,110)/t41-,42-,43-,44-,45-,48-,49-,50+,51+,52+,53+,54-,58+,59-,60-,61-,62+,63+,64+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta glucan synthase				Bioorg Med Chem Lett 11: 1273-6 (2001) BindingDB Entry DOI: 10.7270/Q2CN74FQ
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50111651 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES Cc1cc(O)ccc1NC(=O)C1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O Show InChI InChI=1S/C22H22ClN3O4S/c1-13-10-16(27)3-4-17(13)24-21(29)14-6-8-25(9-7-14)20(28)12-26-18-11-15(23)2-5-19(18)31-22(26)30/h2-5,10-11,14,27H,6-9,12H2,1H3,(H,24,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of total specific binding of [125I]- -PYY to HEK 293 cells transfected with Human NPY-Y5 cDNA (compound prepared by manual s...				Bioorg Med Chem Lett 12: 1171-5 (2002) BindingDB Entry DOI: 10.7270/Q26M365J
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50111641 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3cccc(c3)C(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C28H24ClN3O4S/c29-21-9-10-24-23(16-21)32(28(36)37-24)17-25(33)31-13-11-19(12-14-31)27(35)30-22-8-4-7-20(15-22)26(34)18-5-2-1-3-6-18/h1-10,15-16,19H,11-14,17H2,(H,30,35)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of total specific binding of [125I]- -PYY to HEK 293 cells transfected with Human NPY-Y5 cDNA (compound prepared by manual s...				Bioorg Med Chem Lett 12: 1171-5 (2002) BindingDB Entry DOI: 10.7270/Q26M365J
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50111654 (1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-pi...) Show SMILES COc1ccc(CNC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)cc1 Show InChI InChI=1S/C23H24ClN3O4S/c1-31-18-5-2-15(3-6-18)13-25-22(29)16-8-10-26(11-9-16)21(28)14-27-19-12-17(24)4-7-20(19)32-23(27)30/h2-7,12,16H,8-11,13-14H2,1H3,(H,25,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of total specific binding of [125I]- -PYY to HEK 293 cells transfected with the Human NPY-Y5 cDNA (compound prepared by para...				Bioorg Med Chem Lett 12: 1171-5 (2002) BindingDB Entry DOI: 10.7270/Q26M365J
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 3377 total )  |  Next  |  Last  >>

Jump to: