Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'vidal' and Initial = 'm'   

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 factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50300042 (4-[(2S)-2-{[(1S)-1-{[(1S)-1,2-dicarbamoylethyl]car...) Show SMILES Cc1ccc(OC(C)(C)C(=O)N[C@@H](Cc2ccc(OP(O)(O)=O)cc2)C(=O)N[C@@](C)(Cc2ccc(OP(O)(O)=O)cc2)C(=O)N[C@@H](CC(N)=O)C(N)=O)c(c1)\N=N\c1ccccc1 |r| Show InChI InChI=1S/C40H47N7O14P2/c1-24-10-19-33(30(20-24)47-46-27-8-6-5-7-9-27)59-39(2,3)37(51)44-32(21-25-11-15-28(16-12-25)60-62(53,54)55)36(50)45-40(4,38(52)43-31(35(42)49)22-34(41)48)23-26-13-17-29(18-14-26)61-63(56,57)58/h5-20,31-32H,21-23H2,1-4H3,(H2,41,48)(H2,42,49)(H,43,52)(H,44,51)(H,45,50)(H2,53,54,55)(H2,56,57,58)/b47-46+/t31-,32-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UMR 176 Curated by ChEMBL					Assay Description Inhibition of Grb2 by ELISA				Eur J Med Chem 45: 244-55 (2010) Article DOI: 10.1016/j.ejmech.2009.10.003 BindingDB Entry DOI: 10.7270/Q21C1WZD
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50080832 (CHEMBL334099 | [1-[1-(1,2-Dicarbamoyl-ethylcarbamo...) Show SMILES CC(Cc1ccc(OP(O)(O)=O)cc1)(NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(=O)NC(CC(N)=O)C(N)=O Show InChI InChI=1S/C31H38N6O14P2/c1-31(29(41)35-24(27(34)39)15-26(33)38,16-19-7-11-23(12-8-19)51-53(46,47)48)37-28(40)25(14-18-5-9-22(10-6-18)50-52(43,44)45)36-30(42)49-17-20-3-2-4-21(32)13-20/h2-13,24-25H,14-17,32H2,1H3,(H2,33,38)(H2,34,39)(H,35,41)(H,36,42)(H,37,40)(H2,43,44,45)(H2,46,47,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was evaluated for its potency to inhibit the interaction between Growth factor receptor bound protein 2 and phosphotyrosine-containing p...				J Med Chem 42: 3737-41 (1999) Article DOI: 10.1021/jm9911074 BindingDB Entry DOI: 10.7270/Q2MW2GB6
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360256 (CHEMBL1928201) Show SMILES CN(C)CCCNc1nc(NCCc2ccc(F)cc2)nc(NCCc2ccc(F)cc2)n1 Show InChI InChI=1S/C24H31F2N7/c1-33(2)17-3-14-27-22-30-23(28-15-12-18-4-8-20(25)9-5-18)32-24(31-22)29-16-13-19-6-10-21(26)11-7-19/h4-11H,3,12-17H2,1-2H3,(H3,27,28,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360257 (CHEMBL1928202) Show SMILES CN(C)CCCCCNc1nc(NCCc2ccc(F)cc2)nc(NCCc2ccc(F)cc2)n1 Show InChI InChI=1S/C26H35F2N7/c1-35(2)19-5-3-4-16-29-24-32-25(30-17-14-20-6-10-22(27)11-7-20)34-26(33-24)31-18-15-21-8-12-23(28)13-9-21/h6-13H,3-5,14-19H2,1-2H3,(H3,29,30,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50080831 (CHEMBL434413 | [1-[1-(1,2-Dicarbamoyl-ethylcarbamo...) Show SMILES NC(=O)CC(NC(=O)C1(CCCCC1)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(N)=O Show InChI InChI=1S/C28H37N6O10P/c29-19-6-4-5-18(13-19)16-43-27(39)33-22(14-17-7-9-20(10-8-17)44-45(40,41)42)25(37)34-28(11-2-1-3-12-28)26(38)32-21(24(31)36)15-23(30)35/h4-10,13,21-22H,1-3,11-12,14-16,29H2,(H2,30,35)(H2,31,36)(H,32,38)(H,33,39)(H,34,37)(H2,40,41,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was evaluated for its potency to inhibit the interaction between Growth factor receptor bound protein 2 and phosphotyrosine-containing p...				J Med Chem 42: 3737-41 (1999) Article DOI: 10.1021/jm9911074 BindingDB Entry DOI: 10.7270/Q2MW2GB6
					More data for this Ligand-Target Pair				3D Structure (docked)
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50080836 (4-[2-[2-(3-Amino-benzyloxycarbonylamino)-3-(4-phos...) Show SMILES CC(Cc1ccc(cc1)C(O)=O)(NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(=O)NC(CC(N)=O)C(N)=O Show InChI InChI=1S/C32H37N6O12P/c1-32(16-19-5-9-21(10-6-19)29(42)43,30(44)36-24(27(35)40)15-26(34)39)38-28(41)25(14-18-7-11-23(12-8-18)50-51(46,47)48)37-31(45)49-17-20-3-2-4-22(33)13-20/h2-13,24-25H,14-17,33H2,1H3,(H2,34,39)(H2,35,40)(H,36,44)(H,37,45)(H,38,41)(H,42,43)(H2,46,47,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was evaluated for its potency to inhibit the interaction between Growth factor receptor bound protein 2 and phosphotyrosine-containing p...				J Med Chem 42: 3737-41 (1999) Article DOI: 10.1021/jm9911074 BindingDB Entry DOI: 10.7270/Q2MW2GB6
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50080834 (CHEMBL409455 | {4-[2-[2-(3-Amino-benzyloxycarbonyl...) Show SMILES CC(Cc1ccc(CC(O)=O)cc1)(NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(=O)NC(CC(N)=O)C(N)=O Show InChI InChI=1S/C33H39N6O12P/c1-33(31(45)37-25(29(36)43)16-27(35)40,17-21-7-5-20(6-8-21)15-28(41)42)39-30(44)26(14-19-9-11-24(12-10-19)51-52(47,48)49)38-32(46)50-18-22-3-2-4-23(34)13-22/h2-13,25-26H,14-18,34H2,1H3,(H2,35,40)(H2,36,43)(H,37,45)(H,38,46)(H,39,44)(H,41,42)(H2,47,48,49)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was evaluated for its potency to inhibit the interaction between Growth factor receptor bound protein 2 and phosphotyrosine-containing p...				J Med Chem 42: 3737-41 (1999) Article DOI: 10.1021/jm9911074 BindingDB Entry DOI: 10.7270/Q2MW2GB6
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50080830 (CHEMBL333070 | [1-[1-(1,2-Dicarbamoyl-ethylcarbamo...) Show SMILES NC(=O)CC(NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(N)=O Show InChI InChI=1S/C30H36N6O14P2/c31-20-3-1-2-19(12-20)16-48-30(41)36-25(14-18-6-10-22(11-7-18)50-52(45,46)47)29(40)35-24(28(39)34-23(27(33)38)15-26(32)37)13-17-4-8-21(9-5-17)49-51(42,43)44/h1-12,23-25H,13-16,31H2,(H2,32,37)(H2,33,38)(H,34,39)(H,35,40)(H,36,41)(H2,42,43,44)(H2,45,46,47)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was evaluated for its potency to inhibit the interaction between Growth factor receptor bound protein 2 and phosphotyrosine-containing p...				J Med Chem 42: 3737-41 (1999) Article DOI: 10.1021/jm9911074 BindingDB Entry DOI: 10.7270/Q2MW2GB6
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360242 (CHEMBL1928218) Show SMILES CN(C)CCCNc1nc(NCCc2cccc(F)c2)nc(NCCc2cccc(F)c2)n1 Show InChI InChI=1S/C24H31F2N7/c1-33(2)15-5-12-27-22-30-23(28-13-10-18-6-3-8-20(25)16-18)32-24(31-22)29-14-11-19-7-4-9-21(26)17-19/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H3,27,28,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360241 (CHEMBL1928217) Show SMILES CN(C)CCCNc1nc(NCCc2ccccc2F)nc(NCCc2ccccc2F)n1 Show InChI InChI=1S/C24H31F2N7/c1-33(2)17-7-14-27-22-30-23(28-15-12-18-8-3-5-10-20(18)25)32-24(31-22)29-16-13-19-9-4-6-11-21(19)26/h3-6,8-11H,7,12-17H2,1-2H3,(H3,27,28,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50080833 (CHEMBL264635 | [1-[1-(1,2-Dicarbamoyl-ethylcarbamo...) Show SMILES NC(=O)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(N)=O Show InChI InChI=1S/C30H35N6O11P/c31-20-3-1-2-19(12-20)16-46-30(42)36-25(14-18-6-10-22(11-7-18)47-48(43,44)45)29(41)35-24(13-17-4-8-21(37)9-5-17)28(40)34-23(27(33)39)15-26(32)38/h1-12,23-25,37H,13-16,31H2,(H2,32,38)(H2,33,39)(H,34,40)(H,35,41)(H,36,42)(H2,43,44,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	497	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was evaluated for its potency to inhibit the interaction between Growth factor receptor bound protein 2 and phosphotyrosine-containing p...				J Med Chem 42: 3737-41 (1999) Article DOI: 10.1021/jm9911074 BindingDB Entry DOI: 10.7270/Q2MW2GB6
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360263 (CHEMBL1928208) Show SMILES CN(C)CCCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C24H31Cl2N7/c1-33(2)17-3-14-27-22-30-23(28-15-12-18-4-8-20(25)9-5-18)32-24(31-22)29-16-13-19-6-10-21(26)11-7-19/h4-11H,3,12-17H2,1-2H3,(H3,27,28,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360260 (CHEMBL1928205) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#7]-c1nc(-[#7]-[#6]-[#6]-c2ccc(F)cc2)nc(-[#7]-[#6]-[#6]-c2ccc(F)cc2)n1 Show InChI InChI=1S/C24H31F2N9/c25-19-7-3-17(4-8-19)11-15-31-23-33-22(30-14-2-1-13-29-21(27)28)34-24(35-23)32-16-12-18-5-9-20(26)10-6-18/h3-10H,1-2,11-16H2,(H4,27,28,29)(H3,30,31,32,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360249 (CHEMBL1928343) Show SMILES CN(C)CCCNc1nc(NCc2ccc(cc2)C(F)(F)F)nc(NCc2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C24H27F6N7/c1-37(2)13-3-12-31-20-34-21(32-14-16-4-8-18(9-5-16)23(25,26)27)36-22(35-20)33-15-17-6-10-19(11-7-17)24(28,29)30/h4-11H,3,12-15H2,1-2H3,(H3,31,32,33,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360237 (CHEMBL1928213) Show SMILES CN(C)CCCNc1nc(NCCc2ccccc2)nc(NCCc2ccccc2)n1 Show InChI InChI=1S/C24H33N7/c1-31(2)19-9-16-25-22-28-23(26-17-14-20-10-5-3-6-11-20)30-24(29-22)27-18-15-21-12-7-4-8-13-21/h3-8,10-13H,9,14-19H2,1-2H3,(H3,25,26,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SIRT1 (193 to 741 residues) expressed in Escherichia coli expression system using RHKK(Ac)W-NH2 as substrate measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112561 BindingDB Entry DOI: 10.7270/Q24B34ZN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360247 (CHEMBL1928341) Show SMILES CN(C)CCCNc1nc(NCc2ccc(Cl)cc2Cl)nc(NCc2ccc(Cl)cc2Cl)n1 Show InChI InChI=1S/C22H25Cl4N7/c1-33(2)9-3-8-27-20-30-21(28-12-14-4-6-16(23)10-18(14)25)32-22(31-20)29-13-15-5-7-17(24)11-19(15)26/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H3,27,28,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50555880 (CHEMBL4781198) Show SMILES NC(=O)Cc1[nH]c2ccc(Cl)cc2c1Cc1ccccc1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SIRT2 expressed in baculovirus infected SF9 cells expression system using RHKK(Ac)W-NH2 as substrate measured after 2...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112561 BindingDB Entry DOI: 10.7270/Q24B34ZN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360267 (CHEMBL1928212) Show SMILES NCCN1CCN(CC1)c1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C25H32Cl2N8/c26-21-5-1-19(2-6-21)9-12-29-23-31-24(30-13-10-20-3-7-22(27)8-4-20)33-25(32-23)35-17-15-34(14-11-28)16-18-35/h1-8H,9-18,28H2,(H2,29,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360238 (CHEMBL1928214) Show SMILES COc1ccc(CCNc2nc(NCCCN(C)C)nc(NCCc3ccc(OC)cc3)n2)cc1 Show InChI InChI=1S/C26H37N7O2/c1-33(2)19-5-16-27-24-30-25(28-17-14-20-6-10-22(34-3)11-7-20)32-26(31-24)29-18-15-21-8-12-23(35-4)13-9-21/h6-13H,5,14-19H2,1-4H3,(H3,27,28,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50080835 (CHEMBL333527 | [1-[1-(1,2-Dicarbamoyl-ethylcarbamo...) Show SMILES CC(Cc1ccc(O)cc1)(NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(=O)NC(CC(N)=O)C(N)=O Show InChI InChI=1S/C31H37N6O11P/c1-31(16-19-5-9-22(38)10-6-19,29(42)35-24(27(34)40)15-26(33)39)37-28(41)25(14-18-7-11-23(12-8-18)48-49(44,45)46)36-30(43)47-17-20-3-2-4-21(32)13-20/h2-13,24-25,38H,14-17,32H2,1H3,(H2,33,39)(H2,34,40)(H,35,42)(H,36,43)(H,37,41)(H2,44,45,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was evaluated for its potency to inhibit the interaction between Growth factor receptor bound protein 2 and phosphotyrosine-containing p...				J Med Chem 42: 3737-41 (1999) Article DOI: 10.1021/jm9911074 BindingDB Entry DOI: 10.7270/Q2MW2GB6
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360264 (CHEMBL1928209) Show SMILES CN1CCCC1CCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C26H33Cl2N7/c1-35-18-2-3-23(35)14-17-31-26-33-24(29-15-12-19-4-8-21(27)9-5-19)32-25(34-26)30-16-13-20-6-10-22(28)11-7-20/h4-11,23H,2-3,12-18H2,1H3,(H3,29,30,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360239 (CHEMBL1928215) Show SMILES CN(C)CCCNc1nc(NCCc2ccc(Cl)cc2Cl)nc(NCCc2ccc(Cl)cc2Cl)n1 Show InChI InChI=1S/C24H29Cl4N7/c1-35(2)13-3-10-29-22-32-23(30-11-8-16-4-6-18(25)14-20(16)27)34-24(33-22)31-12-9-17-5-7-19(26)15-21(17)28/h4-7,14-15H,3,8-13H2,1-2H3,(H3,29,30,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SIRT2 expressed in baculovirus infected SF9 cells expression system using RHKK(Ac)W-NH2 as substrate measured after 2...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112561 BindingDB Entry DOI: 10.7270/Q24B34ZN
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50555881 (CHEMBL4781200) Show SMILES CC(C)c1c(CC(N)=O)[nH]c2ccc(Cl)cc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SIRT1 (193 to 741 residues) expressed in Escherichia coli expression system using RHKK(Ac)W-NH2 as substrate measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112561 BindingDB Entry DOI: 10.7270/Q24B34ZN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360240 (CHEMBL1928216) Show SMILES CN(C)CCCNc1nc(NCCc2ccc(cc2)[N+]([O-])=O)nc(NCCc2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C24H31N9O4/c1-31(2)17-3-14-25-22-28-23(26-15-12-18-4-8-20(9-5-18)32(34)35)30-24(29-22)27-16-13-19-6-10-21(11-7-19)33(36)37/h4-11H,3,12-17H2,1-2H3,(H3,25,26,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360243 (CHEMBL1928219) Show SMILES CN(C)CCCNc1nc(NCCc2c[nH]c3ccccc23)nc(NCCc2c[nH]c3ccccc23)n1 Show InChI InChI=1S/C28H35N9/c1-37(2)17-7-14-29-26-34-27(30-15-12-20-18-32-24-10-5-3-8-22(20)24)36-28(35-26)31-16-13-21-19-33-25-11-6-4-9-23(21)25/h3-6,8-11,18-19,32-33H,7,12-17H2,1-2H3,(H3,29,30,31,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360245 (CHEMBL1928339) Show SMILES CN(C)CCCNc1nc(NCc2ccc(Cl)cc2)nc(NCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H27Cl2N7/c1-31(2)13-3-12-25-20-28-21(26-14-16-4-8-18(23)9-5-16)30-22(29-20)27-15-17-6-10-19(24)11-7-17/h4-11H,3,12-15H2,1-2H3,(H3,25,26,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360246 (CHEMBL1928340) Show SMILES CN(C)CCCNc1nc(NCc2ccc(F)cc2)nc(NCc2ccc(F)cc2)n1 Show InChI InChI=1S/C22H27F2N7/c1-31(2)13-3-12-25-20-28-21(26-14-16-4-8-18(23)9-5-16)30-22(29-20)27-15-17-6-10-19(24)11-7-17/h4-11H,3,12-15H2,1-2H3,(H3,25,26,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360248 (CHEMBL1928342) Show SMILES CN(C)CCCNc1nc(NCc2ccc(F)cc2F)nc(NCc2ccc(F)cc2F)n1 Show InChI InChI=1S/C22H25F4N7/c1-33(2)9-3-8-27-20-30-21(28-12-14-4-6-16(23)10-18(14)25)32-22(31-20)29-13-15-5-7-17(24)11-19(15)26/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H3,27,28,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50555883 (CHEMBL4740942) Show SMILES CC(C)c1c(CC(N)=O)[nH]c2ccc(Br)cc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SIRT1 (193 to 741 residues) expressed in Escherichia coli expression system using RHKK(Ac)W-NH2 as substrate measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112561 BindingDB Entry DOI: 10.7270/Q24B34ZN
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50555880 (CHEMBL4781198) Show SMILES NC(=O)Cc1[nH]c2ccc(Cl)cc2c1Cc1ccccc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SIRT1 (193 to 741 residues) expressed in Escherichia coli expression system using RHKK(Ac)W-NH2 as substrate measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112561 BindingDB Entry DOI: 10.7270/Q24B34ZN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360250 (CHEMBL1928344) Show SMILES CN(C)CCCNc1nc(NCc2ccc3OCOc3c2)nc(NCc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C24H29N7O4/c1-31(2)9-3-8-25-22-28-23(26-12-16-4-6-18-20(10-16)34-14-32-18)30-24(29-22)27-13-17-5-7-19-21(11-17)35-15-33-19/h4-7,10-11H,3,8-9,12-15H2,1-2H3,(H3,25,26,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50555875 (CHEMBL4740949) Show SMILES Cc1c(CC(N)=O)[nH]c2ccc(Cl)cc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SIRT1 (193 to 741 residues) expressed in Escherichia coli expression system using RHKK(Ac)W-NH2 as substrate measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112561 BindingDB Entry DOI: 10.7270/Q24B34ZN
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50555879 (CHEMBL4784071) Show SMILES CCCCCc1c(CC(N)=O)[nH]c2ccc(Cl)cc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SIRT1 (193 to 741 residues) expressed in Escherichia coli expression system using RHKK(Ac)W-NH2 as substrate measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112561 BindingDB Entry DOI: 10.7270/Q24B34ZN
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50555878 (CHEMBL4746325) Show SMILES CCCCc1c(CC(N)=O)[nH]c2ccc(Cl)cc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SIRT1 (193 to 741 residues) expressed in Escherichia coli expression system using RHKK(Ac)W-NH2 as substrate measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112561 BindingDB Entry DOI: 10.7270/Q24B34ZN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360258 (CHEMBL1928203) Show SMILES CN(C)CCCOc1nc(NCCc2ccc(F)cc2)nc(NCCc2ccc(F)cc2)n1 Show InChI InChI=1S/C24H30F2N6O/c1-32(2)16-3-17-33-24-30-22(27-14-12-18-4-8-20(25)9-5-18)29-23(31-24)28-15-13-19-6-10-21(26)11-7-19/h4-11H,3,12-17H2,1-2H3,(H2,27,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360266 (CHEMBL1928211) Show SMILES CN1CCN(CC1)Nc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C24H30Cl2N8/c1-33-14-16-34(17-15-33)32-24-30-22(27-12-10-18-2-6-20(25)7-3-18)29-23(31-24)28-13-11-19-4-8-21(26)9-5-19/h2-9H,10-17H2,1H3,(H3,27,28,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360265 (CHEMBL1928210) Show SMILES CN(C)CCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C23H29Cl2N7/c1-32(2)16-15-28-23-30-21(26-13-11-17-3-7-19(24)8-4-17)29-22(31-23)27-14-12-18-5-9-20(25)10-6-18/h3-10H,11-16H2,1-2H3,(H3,26,27,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50555877 (CHEMBL4800250) Show SMILES CCCc1c(CC(N)=O)[nH]c2ccc(Cl)cc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SIRT1 (193 to 741 residues) expressed in Escherichia coli expression system using RHKK(Ac)W-NH2 as substrate measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112561 BindingDB Entry DOI: 10.7270/Q24B34ZN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360253 (CHEMBL1928347) Show SMILES CN(C)CCCNc1nc(nc(n1)N1CCc2[nH]c3ccccc3c2C1)N1CCc2[nH]c3ccccc3c2C1 Show InChI InChI=1S/C30H35N9/c1-37(2)15-7-14-31-28-34-29(38-16-12-26-22(18-38)20-8-3-5-10-24(20)32-26)36-30(35-28)39-17-13-27-23(19-39)21-9-4-6-11-25(21)33-27/h3-6,8-11,32-33H,7,12-19H2,1-2H3,(H,31,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360259 (CHEMBL1928204) Show SMILES CN(C)CCOCCNc1nc(NCCc2ccc(F)cc2)nc(NCCc2ccc(F)cc2)n1 Show InChI InChI=1S/C25H33F2N7O/c1-34(2)16-18-35-17-15-30-25-32-23(28-13-11-19-3-7-21(26)8-4-19)31-24(33-25)29-14-12-20-5-9-22(27)10-6-20/h3-10H,11-18H2,1-2H3,(H3,28,29,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50555882 (CHEMBL4750361) Show SMILES CC(C)(C)c1c(CC(N)=O)[nH]c2ccc(Cl)cc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SIRT1 (193 to 741 residues) expressed in Escherichia coli expression system using RHKK(Ac)W-NH2 as substrate measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112561 BindingDB Entry DOI: 10.7270/Q24B34ZN
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50190131 (Oblongifolin C) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](-[#8])=[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)[C@@]1([#6])[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r,t:19,THB:40:39:20.18.31:41.11.10| Show InChI InChI=1S/C43H58O6/c1-27(2)13-11-15-31(9)16-18-33-26-42(23-20-29(5)6)38(47)36(37(46)32-17-19-34(44)35(45)25-32)39(48)43(40(42)49,24-21-30(7)8)41(33,10)22-12-14-28(3)4/h13-14,16-17,19-21,25,33,44-45,47H,11-12,15,18,22-24,26H2,1-10H3/b31-16+/t33-,41+,42+,43-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-fused SIRT1 expressed in Escherichia coli DH5-alpha using [3H]acetic acid labeled MPSDKTIGG as substrate after ov...				J Med Chem 59: 9560-9566 (2016) Article DOI: 10.1021/acs.jmedchem.6b01182 BindingDB Entry DOI: 10.7270/Q26M38SF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50257256 (CHEMBL4092853) Show SMILES CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)[C@@H](C)O)C(C)C)C(C)C)C(N)=O)NC(C)=O)[C@@H](C)O)C(C)C |r| Show InChI InChI=1S/C74H127N19O22S3/c1-34(2)29-47-66(107)83-46(25-28-116-15)62(103)78-31-53(98)88-58(40(12)94)72(113)89-55(36(5)6)70(111)79-39(11)61(102)81-43(19-16-17-26-75)63(104)82-44(21-23-52(76)97)64(105)86-48(30-35(3)4)67(108)91-57(38(9)10)74(115)93-27-18-20-51(93)69(110)87-49(60(77)101)32-117-118-33-50(80-42(14)96)68(109)92-59(41(13)95)73(114)90-56(37(7)8)71(112)84-45(65(106)85-47)22-24-54(99)100/h34-41,43-51,55-59,94-95H,16-33,75H2,1-15H3,(H2,76,97)(H2,77,101)(H,78,103)(H,79,111)(H,80,96)(H,81,102)(H,82,104)(H,83,107)(H,84,112)(H,85,106)(H,86,105)(H,87,110)(H,88,98)(H,89,113)(H,90,114)(H,91,108)(H,92,109)(H,99,100)/t39-,40+,41+,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-,57-,58-,59-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8638 CNRS, Faculté de Pharmacie de Paris, Université Paris Descartes , Sorbonne Paris Cité, 4 Avenue de l'Observatoire, Paris 75006, France. Curated by ChEMBL					Assay Description Displacement of biotinylated VEGF-A (165 residues) from humanized recombinant C-terminal His-tagged VEGFR-1 extracellular domain expressed in baculov...				J Med Chem 60: 6598-6606 (2017) Article DOI: 10.1021/acs.jmedchem.7b00283 BindingDB Entry DOI: 10.7270/Q2S184ZB
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50555876 (CHEMBL4744001) Show SMILES CCc1c(CC(N)=O)[nH]c2ccc(Cl)cc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SIRT1 (193 to 741 residues) expressed in Escherichia coli expression system using RHKK(Ac)W-NH2 as substrate measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112561 BindingDB Entry DOI: 10.7270/Q24B34ZN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50360262 (CHEMBL1928207) Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCCc2ccc(F)cc2)nc(NCCc2ccc(F)cc2)n1 Show InChI InChI=1S/C27H36F2N8/c1-35(2)15-16-36-17-19-37(20-18-36)27-33-25(30-13-11-21-3-7-23(28)8-4-21)32-26(34-27)31-14-12-22-5-9-24(29)10-6-22/h3-10H,11-20H2,1-2H3,(H2,30,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by...				J Med Chem 54: 7441-52 (2011) Article DOI: 10.1021/jm200981s BindingDB Entry DOI: 10.7270/Q2M32W6F
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50223445 (CHEMBL410408 | c[homoPhe-Hca-Glu-Gly-Leu-Glu-Glu]-...) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2cc(=O)oc3cc(O)ccc23)NC(=O)[C@H](CCc2ccccc2)NC(=O)CC[C@@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC1=O Show InChI InChI=1S/C46H58N8O15/c1-24(2)18-33-45(67)53-32(14-17-40(61)62)43(65)49-27(21-36(47)56)9-15-37(57)50-31(12-8-25-6-4-3-5-7-25)44(66)54-34(19-26-20-41(63)69-35-22-28(55)10-11-29(26)35)46(68)52-30(13-16-39(59)60)42(64)48-23-38(58)51-33/h3-7,10-11,20,22,24,27,30-34,55H,8-9,12-19,21,23H2,1-2H3,(H2,47,56)(H,48,64)(H,49,65)(H,50,57)(H,51,58)(H,52,68)(H,53,67)(H,54,66)(H,59,60)(H,61,62)/t27-,30-,31-,32-,33-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Paris Descartes Curated by ChEMBL					Assay Description Displacement of biotinylated VEGF165 from human recombinant VEGFR1 by chemiluminescent assay				J Med Chem 50: 5135-46 (2007) Article DOI: 10.1021/jm0706970 BindingDB Entry DOI: 10.7270/Q2125SDD
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50221338 (CHEMBL251540 | N3-GHQMFYYPra-NH2) Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(N)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CC#C)C(N)=O Show InChI InChI=1S/C50H61N15O11S/c1-3-7-34(43(53)69)57-46(72)38(23-29-10-14-32(66)15-11-29)61-48(74)39(24-30-12-16-33(67)17-13-30)62-47(73)37(22-28-8-5-4-6-9-28)60-45(71)36(20-21-77-2)59-44(70)35(18-19-41(51)68)58-49(75)40(25-31-26-55-27-56-31)63-50(76)42(52)64-65-54/h1,4-6,8-17,26-27,34-40,42,66-67H,7,18-25,52H2,2H3,(H2,51,68)(H2,53,69)(H,55,56)(H,57,72)(H,58,75)(H,59,70)(H,60,71)(H,61,74)(H,62,73)(H,63,76)/t34?,35-,36-,37-,38-,39-,40-,42?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Paris Descartes Curated by ChEMBL					Assay Description Displacement of biotinylated VEGF165 from human recombinant VEGFR1				Bioorg Med Chem Lett 17: 5590-4 (2007) Article DOI: 10.1016/j.bmcl.2007.07.087 BindingDB Entry DOI: 10.7270/Q28S4PNB
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50190131 (Oblongifolin C) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](-[#8])=[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)[C@@]1([#6])[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r,t:19,THB:40:39:20.18.31:41.11.10| Show InChI InChI=1S/C43H58O6/c1-27(2)13-11-15-31(9)16-18-33-26-42(23-20-29(5)6)38(47)36(37(46)32-17-19-34(44)35(45)25-32)39(48)43(40(42)49,24-21-30(7)8)41(33,10)22-12-14-28(3)4/h13-14,16-17,19-21,25,33,44-45,47H,11-12,15,18,22-24,26H2,1-10H3/b31-16+/t33-,41+,42+,43-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-fused SIRT2 expressed in Escherichia coli DH5-alpha using [3H]acetic acid labeled MPSDKTIGG as substrate after ov...				J Med Chem 59: 9560-9566 (2016) Article DOI: 10.1021/acs.jmedchem.6b01182 BindingDB Entry DOI: 10.7270/Q26M38SF
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 112 total )  |  Next  |  Last  >>

Jump to: