Compile Data Set for Download or QSAR

Found 1218 hits with Last Name = 'tarzia' and Initial = 'g'   

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
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50471125 (CHEMBL433237) Show SMILES CCC(=O)NCCn1c(cc2ccc(OC)cc12)-c1ccccc1 Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-11-12-22-18(15-7-5-4-6-8-15)13-16-9-10-17(24-2)14-19(16)22/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligand				J Med Chem 40: 2003-10 (1997) Article DOI: 10.1021/jm960653j BindingDB Entry DOI: 10.7270/Q2CR5X2K
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50240440 (4-P-PDOT | CHEMBL285718 | N-(4-Phenyl-1,2,3,4-tetr...) Show SMILES CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1 Show InChI InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor MT2 expressed in NIH3T3 rat fibroblast cells				J Med Chem 48: 4049-60 (2005) Article DOI: 10.1021/jm048956y BindingDB Entry DOI: 10.7270/Q2319ZND
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50034110 (CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...) Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligand				J Med Chem 40: 2003-10 (1997) Article DOI: 10.1021/jm960653j BindingDB Entry DOI: 10.7270/Q2CR5X2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50034110 (CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...) Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand				J Med Chem 40: 1990-2002 (1997) Article DOI: 10.1021/jm960651z BindingDB Entry DOI: 10.7270/Q2HD7ZCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50477319 (CHEMBL394273) Show SMILES COc1cccc(c1)N(CCNC(C)=O)c1cccc(OC)c1 Show InChI InChI=1S/C18H22N2O3/c1-14(21)19-10-11-20(15-6-4-8-17(12-15)22-2)16-7-5-9-18(13-16)23-3/h4-9,12-13H,10-11H2,1-3H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells				J Med Chem 50: 6618-26 (2007) Article DOI: 10.1021/jm700957j BindingDB Entry DOI: 10.7270/Q2M32ZJR
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50043287 (CHEMBL33415 | Melatonin,2-Bromo | N-[2-(2-Bromo-5-...) Show SMILES COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15BrN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligand				J Med Chem 40: 2003-10 (1997) Article DOI: 10.1021/jm960653j BindingDB Entry DOI: 10.7270/Q2CR5X2K
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50043287 (CHEMBL33415 | Melatonin,2-Bromo | N-[2-(2-Bromo-5-...) Show SMILES COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15BrN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand				J Med Chem 40: 1990-2002 (1997) Article DOI: 10.1021/jm960651z BindingDB Entry DOI: 10.7270/Q2HD7ZCK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50471136 (CHEMBL33006) Show SMILES CCC(=O)NCCn1c(Br)cc2ccc(OC)cc12 Show InChI InChI=1S/C14H17BrN2O2/c1-3-14(18)16-6-7-17-12-9-11(19-2)5-4-10(12)8-13(17)15/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligand				J Med Chem 40: 2003-10 (1997) Article DOI: 10.1021/jm960653j BindingDB Entry DOI: 10.7270/Q2CR5X2K
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50477320 (CHEMBL235327) Show SMILES COc1cccc(c1)N(CCNC(C)=O)c1ccccc1 Show InChI InChI=1S/C17H20N2O2/c1-14(20)18-11-12-19(15-7-4-3-5-8-15)16-9-6-10-17(13-16)21-2/h3-10,13H,11-12H2,1-2H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0661	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells				J Med Chem 50: 6618-26 (2007) Article DOI: 10.1021/jm700957j BindingDB Entry DOI: 10.7270/Q2M32ZJR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680				J Med Chem 48: 6887-96 (2005) Article DOI: 10.1021/jm058018d BindingDB Entry DOI: 10.7270/Q28C9X1X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50477318 (CHEMBL279401) Show SMILES CCCC(=O)NCCN(c1ccccc1)c1cccc(OC)c1 Show InChI InChI=1S/C19H24N2O2/c1-3-8-19(22)20-13-14-21(16-9-5-4-6-10-16)17-11-7-12-18(15-17)23-2/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells				J Med Chem 50: 6618-26 (2007) Article DOI: 10.1021/jm700957j BindingDB Entry DOI: 10.7270/Q2M32ZJR
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50477315 (CHEMBL237234) Show SMILES COc1cccc(c1)N(CCNC(C)=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H22N2O2/c1-16(24)22-12-13-23(19-8-5-9-21(15-19)25-2)20-11-10-17-6-3-4-7-18(17)14-20/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells				J Med Chem 50: 6618-26 (2007) Article DOI: 10.1021/jm700957j BindingDB Entry DOI: 10.7270/Q2M32ZJR
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells				J Med Chem 50: 6618-26 (2007) Article DOI: 10.1021/jm700957j BindingDB Entry DOI: 10.7270/Q2M32ZJR
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50449787 (CHEMBL2062154 | PD-134308) Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:30.41,14.15,45.49,3.3,wD:6.6,1.0,TLB:5:3:47:9.6.8,10:9:47:3.48.2,THB:5:6:47:3.48.2,10:9:1.47.8:3.5.48,2:3:9:1.47.8,2:1:9:3.5.48,(-14.99,-2.1,;-13.56,-2.66,;-14.77,-3.94,;-13.26,-3.53,;-13.35,-5.06,;-11.86,-4.09,;-10.83,-2.82,;-9.38,-3.33,;-12.24,-3.16,;-10.83,-1.28,;-9.29,-1.31,;-8.5,.01,;-9.25,1.36,;-6.96,-.01,;-6.19,1.3,;-5.42,-.02,;-7.44,2.2,;-7.28,3.74,;-8.44,4.76,;-7.81,6.18,;-6.29,6.03,;-5.14,7.07,;-3.69,6.6,;-3.34,5.08,;-4.49,4.06,;-5.94,4.52,;-4.66,1.42,;-3.99,2.8,;-3.79,.15,;-2.27,.27,;-1.4,-1.02,;-2.08,-2.4,;-1.22,-3.69,;.32,-3.58,;-1.9,-5.07,;-3.43,-5.16,;-4.1,-6.57,;-5.64,-6.67,;-3.25,-7.83,;.14,-.91,;.99,-2.2,;2.51,-2.08,;3.19,-.7,;2.32,.59,;.8,.47,;-12.23,-.7,;-12.2,.82,;-13.58,-1.18,;-13.27,-1.94,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29-,32?,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition by displacing [3H]CCK-8S against Cholecystokinin type A receptor of rat pancreatic membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM81962 (S-L-365,260) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition by displacing [3H]CCK-8S against Cholecystokinin type A receptor of rat pancreatic membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
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 PubMed	0.148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition by displacing [3H]CCK-8S against Cholecystokinin type A receptor of rat pancreatic membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50240952 ((4-Methoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-...) Show SMILES CCC(=O)NCC1Cc2ccccc2Cc2ccc(OC)cc12 Show InChI InChI=1S/C20H23NO2/c1-3-20(22)21-13-17-11-15-7-5-4-6-14(15)10-16-8-9-18(23-2)12-19(16)17/h4-9,12,17H,3,10-11,13H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity for human recombinant Melatonin receptor type 2 expressed in NIH3T3 cells				J Med Chem 47: 4202-12 (2004) Article DOI: 10.1021/jm040768k BindingDB Entry DOI: 10.7270/Q24170V2
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Binding Affinity (pKi) towards human Melatonin receptor type 1A				J Med Chem 46: 1429-39 (2003) Article DOI: 10.1021/jm020982d BindingDB Entry DOI: 10.7270/Q2DN47T2
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50471833 (CHEMBL127337) Show SMILES COc1cc2c(CCNC(C)=O)c(Br)[nH]c2cc1Br Show InChI InChI=1S/C13H14Br2N2O2/c1-7(18)16-4-3-8-9-5-12(19-2)10(14)6-11(9)17-13(8)15/h5-6,17H,3-4H2,1-2H3,(H,16,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity for Melatonin receptor using 2-[125I]iodomelatonin as radioligand				J Med Chem 41: 3831-44 (1998) Article DOI: 10.1021/jm9810093 BindingDB Entry DOI: 10.7270/Q2ZC85M8
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50472889 (CHEMBL415240) Show SMILES [H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(CO)c4)C1=O)(C2)C3 |TLB:8:1:44:6.9.5,8:6:44:1.43.2,THB:2:3:9:1.43.8,2:1:9:3.44.5| Show InChI InChI=1S/C34H36N4O4/c39-20-22-7-6-8-26(16-22)35-33(42)36-30-31(40)37(21-34-17-23-13-24(18-34)15-25(14-23)19-34)28-11-4-5-12-29(28)38(32(30)41)27-9-2-1-3-10-27/h1-12,16,23-25,30,39H,13-15,17-21H2,(H2,35,36,42)/t23-,24+,25-,30?,34?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50477309 (CHEMBL235328) Show SMILES CC(=O)NCCN(c1ccccc1)c1cccc(Br)c1 Show InChI InChI=1S/C16H17BrN2O/c1-13(20)18-10-11-19(15-7-3-2-4-8-15)16-9-5-6-14(17)12-16/h2-9,12H,10-11H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells				J Med Chem 50: 6618-26 (2007) Article DOI: 10.1021/jm700957j BindingDB Entry DOI: 10.7270/Q2M32ZJR
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells				Bioorg Med Chem 15: 4643-50 (2007) Article DOI: 10.1016/j.bmc.2007.03.080 BindingDB Entry DOI: 10.7270/Q2BZ65Q4
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50472863 (CHEMBL333979) Show SMILES CC(C)CCN1c2ccccc2N(c2ccccc2F)C(=O)C(NC(=O)Nc2cccc(c2)N(C)C)C1=O Show InChI InChI=1S/C29H32FN5O3/c1-19(2)16-17-34-24-14-7-8-15-25(24)35(23-13-6-5-12-22(23)30)28(37)26(27(34)36)32-29(38)31-20-10-9-11-21(18-20)33(3)4/h5-15,18-19,26H,16-17H2,1-4H3,(H2,31,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50472878 (CHEMBL331872) Show SMILES Fc1ccccc1N1c2ccccc2N(CCC2CCCC2)C(=O)C(NC(=O)Nc2cccc(c2)C2N=NN=N2)C1=O |c:40,42| Show InChI InChI=1S/C30H29FN8O3/c31-22-12-3-4-13-23(22)39-25-15-6-5-14-24(25)38(17-16-19-8-1-2-9-19)28(40)26(29(39)41)33-30(42)32-21-11-7-10-20(18-21)27-34-36-37-35-27/h3-7,10-15,18-19,26-27H,1-2,8-9,16-17H2,(H2,32,33,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50471127 (CHEMBL62088) Show SMILES CCC(=O)NCCn1c(cc2ccc(OC)cc12)C(=O)OC Show InChI InChI=1S/C16H20N2O4/c1-4-15(19)17-7-8-18-13-10-12(21-2)6-5-11(13)9-14(18)16(20)22-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligand				J Med Chem 40: 2003-10 (1997) Article DOI: 10.1021/jm960653j BindingDB Entry DOI: 10.7270/Q2CR5X2K
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells				J Med Chem 50: 6618-26 (2007) Article DOI: 10.1021/jm700957j BindingDB Entry DOI: 10.7270/Q2M32ZJR
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50475069 (CHEMBL189395) Show SMILES CCCC(=O)NCC1Cc2ccccc2Cc2ccc(OC)cc12 Show InChI InChI=1S/C21H25NO2/c1-3-6-21(23)22-14-18-12-16-8-5-4-7-15(16)11-17-9-10-19(24-2)13-20(17)18/h4-5,7-10,13,18H,3,6,11-12,14H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity for human recombinant Melatonin receptor type 2 expressed in NIH3T3 cells				J Med Chem 47: 4202-12 (2004) Article DOI: 10.1021/jm040768k BindingDB Entry DOI: 10.7270/Q24170V2
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50472863 (CHEMBL333979) Show SMILES CC(C)CCN1c2ccccc2N(c2ccccc2F)C(=O)C(NC(=O)Nc2cccc(c2)N(C)C)C1=O Show InChI InChI=1S/C29H32FN5O3/c1-19(2)16-17-34-24-14-7-8-15-25(24)35(23-13-6-5-12-22(23)30)28(37)26(27(34)36)32-29(38)31-20-10-9-11-21(18-20)33(3)4/h5-15,18-19,26H,16-17H2,1-4H3,(H2,31,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.263	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity for human recombinant Melatonin receptor type 2 expressed in NIH3T3 cells				J Med Chem 47: 4202-12 (2004) Article DOI: 10.1021/jm040768k BindingDB Entry DOI: 10.7270/Q24170V2
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor type 1B (MT2) expressed in NIH3T3 rat fibroblast cells				J Med Chem 48: 4049-60 (2005) Article DOI: 10.1021/jm048956y BindingDB Entry DOI: 10.7270/Q2319ZND
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50472898 (CHEMBL332902) Show SMILES CC(C)(C)CCN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C2N=NN=N2)C1=O |c:37,39| Show InChI InChI=1S/C29H30N8O3/c1-29(2,3)16-17-36-22-14-7-8-15-23(22)37(21-12-5-4-6-13-21)27(39)24(26(36)38)31-28(40)30-20-11-9-10-19(18-20)25-32-34-35-33-25/h4-15,18,24-25H,16-17H2,1-3H3,(H2,30,31,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity for human recombinant Melatonin receptor type 1 expressed in NIH3T3 cells				J Med Chem 47: 4202-12 (2004) Article DOI: 10.1021/jm040768k BindingDB Entry DOI: 10.7270/Q24170V2
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor type 1A (MT1) expressed in NIH3T3 rat fibroblast cells				J Med Chem 48: 4049-60 (2005) Article DOI: 10.1021/jm048956y BindingDB Entry DOI: 10.7270/Q2319ZND
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85372 (CAS_121-75-5 | MLT | Malathion) Show SMILES CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Show InChI InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano Curated by PDSP Ki Database									J Med Chem 41: 3624-34 (1998) Article DOI: 10.1021/jm970721h BindingDB Entry DOI: 10.7270/Q2T43RN6
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Binding Affinity (pKi) towards human Melatonin receptor type 1B				J Med Chem 46: 1429-39 (2003) Article DOI: 10.1021/jm020982d BindingDB Entry DOI: 10.7270/Q2DN47T2
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50472855 (CHEMBL331468) Show SMILES [H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(N)c4)C1=O)(C2)C3 |TLB:8:1:43:6.9.5,8:6:43:1.42.2,THB:2:3:9:1.42.8,2:1:9:3.43.5| Show InChI InChI=1S/C33H35N5O3/c34-24-7-6-8-25(16-24)35-32(41)36-29-30(39)37(20-33-17-21-13-22(18-33)15-23(14-21)19-33)27-11-4-5-12-28(27)38(31(29)40)26-9-2-1-3-10-26/h1-12,16,21-23,29H,13-15,17-20,34H2,(H2,35,36,41)/t21-,22+,23-,29?,33?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells				Bioorg Med Chem 15: 4643-50 (2007) Article DOI: 10.1016/j.bmc.2007.03.080 BindingDB Entry DOI: 10.7270/Q2BZ65Q4
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50472870 (CHEMBL331975) Show SMILES CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 Show InChI InChI=1S/C30H35N5O3/c1-30(2,3)18-19-34-24-16-9-10-17-25(24)35(22-13-7-6-8-14-22)28(37)26(27(34)36)32-29(38)31-21-12-11-15-23(20-21)33(4)5/h6-17,20,26H,18-19H2,1-5H3,(H2,31,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50114704 (CHEMBL33549 | N-(2-(5-methoxy-2-(3-methoxybenzyl)b...) Show SMILES COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)c1 Show InChI InChI=1S/C21H23NO4/c1-14(23)22-10-9-18-19-13-17(25-3)7-8-20(19)26-21(18)12-15-5-4-6-16(11-15)24-2/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor MT2 expressed in NIH3T3 rat fibroblast cells				J Med Chem 48: 4049-60 (2005) Article DOI: 10.1021/jm048956y BindingDB Entry DOI: 10.7270/Q2319ZND
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50472884 (CHEMBL121021) Show SMILES CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 Show InChI InChI=1S/C28H29FN4O3S/c1-18(2)15-16-32-23-13-6-7-14-24(23)33(22-12-5-4-11-21(22)29)27(35)25(26(32)34)31-28(36)30-19-9-8-10-20(17-19)37-3/h4-14,17-18,25H,15-16H2,1-3H3,(H2,30,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50449787 (CHEMBL2062154 | PD-134308) Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:30.41,14.15,45.49,3.3,wD:6.6,1.0,TLB:5:3:47:9.6.8,10:9:47:3.48.2,THB:5:6:47:3.48.2,10:9:1.47.8:3.5.48,2:3:9:1.47.8,2:1:9:3.5.48,(-14.99,-2.1,;-13.56,-2.66,;-14.77,-3.94,;-13.26,-3.53,;-13.35,-5.06,;-11.86,-4.09,;-10.83,-2.82,;-9.38,-3.33,;-12.24,-3.16,;-10.83,-1.28,;-9.29,-1.31,;-8.5,.01,;-9.25,1.36,;-6.96,-.01,;-6.19,1.3,;-5.42,-.02,;-7.44,2.2,;-7.28,3.74,;-8.44,4.76,;-7.81,6.18,;-6.29,6.03,;-5.14,7.07,;-3.69,6.6,;-3.34,5.08,;-4.49,4.06,;-5.94,4.52,;-4.66,1.42,;-3.99,2.8,;-3.79,.15,;-2.27,.27,;-1.4,-1.02,;-2.08,-2.4,;-1.22,-3.69,;.32,-3.58,;-1.9,-5.07,;-3.43,-5.16,;-4.1,-6.57,;-5.64,-6.67,;-3.25,-7.83,;.14,-.91,;.99,-2.2,;2.51,-2.08,;3.19,-.7,;2.32,.59,;.8,.47,;-12.23,-.7,;-12.2,.82,;-13.58,-1.18,;-13.27,-1.94,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29-,32?,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition by displacing [3H]CCK-8S against human Cholecystokinin type B receptor				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50472854 (CHEMBL330977) Show SMILES [H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4ccccc4)C1=O)(C2)C3 |TLB:8:1:42:6.9.5,8:6:42:1.41.2,THB:2:3:9:1.41.8,2:1:9:3.42.5| Show InChI InChI=1S/C33H34N4O3/c38-30-29(35-32(40)34-25-9-3-1-4-10-25)31(39)37(26-11-5-2-6-12-26)28-14-8-7-13-27(28)36(30)21-33-18-22-15-23(19-33)17-24(16-22)20-33/h1-14,22-24,29H,15-21H2,(H2,34,35,40)/t22-,23+,24-,29?,33?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition by displacing [3H]CCK-8S against human Cholecystokinin type B receptor				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50471112 (CHEMBL61991) Show SMILES COc1ccc2[nH]c(c(\C=C\NC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H18N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,22)/b11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand				J Med Chem 40: 1990-2002 (1997) Article DOI: 10.1021/jm960651z BindingDB Entry DOI: 10.7270/Q2HD7ZCK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50176057 (9-Methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine ...) Show SMILES Cn1c(nc2c(N)ncnc12)-n1nccn1 Show InChI InChI=1S/C8H8N8/c1-15-7-5(6(9)10-4-11-7)14-8(15)16-12-2-3-13-16/h2-4H,1H3,(H2,9,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Binding affinity towards human Adenosine A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX				J Med Chem 48: 6887-96 (2005) Article DOI: 10.1021/jm058018d BindingDB Entry DOI: 10.7270/Q28C9X1X
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50471119 (CHEMBL61380) Show SMILES CCOC(=O)c1[nH]c2ccc(OC)c3CCC(CNC(C)=O)c1c23 Show InChI InChI=1S/C18H22N2O4/c1-4-24-18(22)17-15-11(9-19-10(2)21)5-6-12-14(23-3)8-7-13(20-17)16(12)15/h7-8,11,20H,4-6,9H2,1-3H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand				J Med Chem 40: 1990-2002 (1997) Article DOI: 10.1021/jm960651z BindingDB Entry DOI: 10.7270/Q2HD7ZCK
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50472887 (CHEMBL330773) Show SMILES CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 Show InChI InChI=1S/C29H32N4O3S/c1-29(2,3)17-18-32-23-15-8-9-16-24(23)33(21-12-6-5-7-13-21)27(35)25(26(32)34)31-28(36)30-20-11-10-14-22(19-20)37-4/h5-16,19,25H,17-18H2,1-4H3,(H2,30,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1218 total )  |  Next  |  Last  >>

Jump to: