Compile Data Set for Download or QSAR

Found 8826 hits with Last Name = 'mari' 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
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117886 (CHEMBL3612603) Show SMILES CCC(=O)NCC1CCc2c(OC)cccc2N1C Show InChI InChI=1S/C15H22N2O2/c1-4-15(18)16-10-11-8-9-12-13(17(11)2)6-5-7-14(12)19-3/h5-7,11H,4,8-10H2,1-3H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.0300	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 MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50370598 (CHEMBL1651379) Show SMILES CCCCCCCC[C@@H](O)Cn1cc2c(N)ncnc2n1 |r| Show InChI InChI=1S/C15H25N5O/c1-2-3-4-5-6-7-8-12(21)9-20-10-13-14(16)17-11-18-15(13)19-20/h10-12,21H,2-9H2,1H3,(H2,16,17,18,19)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibitory constant against bovine spleen Adenosine deaminase				J Med Chem 48: 5162-74 (2005) Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50417006 (CHEMBL1256414) Show SMILES C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r| Show InChI InChI=1S/C13H12N2/c1-2-4-10-9(3-1)5-13(6-11(10)13)12-7-14-8-15-12/h1-4,7-8,11H,5-6H2,(H,14,15)/t11-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50417006 (CHEMBL1256414) Show SMILES C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r| Show InChI InChI=1S/C13H12N2/c1-2-4-10-9(3-1)5-13(6-11(10)13)12-7-14-8-15-12/h1-4,7-8,11H,5-6H2,(H,14,15)/t11-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50417006 (CHEMBL1256414) Show SMILES C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r| Show InChI InChI=1S/C13H12N2/c1-2-4-10-9(3-1)5-13(6-11(10)13)12-7-14-8-15-12/h1-4,7-8,11H,5-6H2,(H,14,15)/t11-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50171394 (2-Decyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | CH...) Show SMILES CCCCCCCCCCn1cc2c(N)ncnc2n1 Show InChI InChI=1S/C15H25N5/c1-2-3-4-5-6-7-8-9-10-20-11-13-14(16)17-12-18-15(13)19-20/h11-12H,2-10H2,1H3,(H2,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibitory constant against bovine spleen Adenosine deaminase				J Med Chem 48: 5162-74 (2005) Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50417010 (CHEMBL1255723) Show SMILES CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r| Show InChI InChI=1S/C15H16N2/c1-2-12-14-11-6-4-3-5-10(11)7-15(12,14)13-8-16-9-17-13/h3-6,8-9,12,14H,2,7H2,1H3,(H,16,17)/t12-,14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50061303 (2'-Methyl-4'-(5-methyl-4,5-dihydro-[1,2,4]oxadiazo...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C2=NOC(C)N2)cc1N1CCN(C)CC1 |t:24| Show InChI InChI=1S/C29H33N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18,20H,13-16H2,1-4H3,(H,30,32)(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells				J Med Chem 40: 3974-8 (1998) Article DOI: 10.1021/jm9703552 BindingDB Entry DOI: 10.7270/Q2FT8K57
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM79215 (CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for 5-hydroxytryptamine 1B receptor subtype				Bioorg Med Chem Lett 7: 3183-3188 (1997) Article DOI: 10.1016/S0960-894X(97)10164-0 BindingDB Entry DOI: 10.7270/Q23R0SW9
					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)	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
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
Translocator protein (Rattus norvegicus (rat))	BDBM50253857 (CHEMBL460998 | N-butyl-2-(5-chloro-2-(4-chlorophen...) Show SMILES CCCCN(C)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H20Cl2N2O2/c1-3-4-11-25(2)21(27)20(26)18-16-12-15(23)9-10-17(16)24-19(18)13-5-7-14(22)8-6-13/h5-10,12,24H,3-4,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane				J Med Chem 51: 5798-806 (2008) Article DOI: 10.1021/jm8003224 BindingDB Entry DOI: 10.7270/Q2GF0VD5
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50417010 (CHEMBL1255723) Show SMILES CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r| Show InChI InChI=1S/C15H16N2/c1-2-12-14-11-6-4-3-5-10(11)7-15(12,14)13-8-16-9-17-13/h3-6,8-9,12,14H,2,7H2,1H3,(H,16,17)/t12-,14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50417019 (CHEMBL1256378) Show SMILES C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r| Show InChI InChI=1S/C14H14N2/c1-9-13-11-5-3-2-4-10(11)6-14(9,13)12-7-15-8-16-12/h2-5,7-9,13H,6H2,1H3,(H,15,16)/t9-,13+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50318267 (4-methoxy-N-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]p...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2nn(C)cc12)-c1ccccc1 Show InChI InChI=1S/C20H17N5O2/c1-25-12-16-18(23-20(26)14-8-10-15(27-2)11-9-14)21-17(22-19(16)24-25)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3954-63 (2010) Article DOI: 10.1021/jm901785w BindingDB Entry DOI: 10.7270/Q2N017HH
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50253893 (2-(5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl)-N-me...) Show SMILES CCCCCN(C)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22Cl2N2O2/c1-3-4-5-12-26(2)22(28)21(27)19-17-13-16(24)10-11-18(17)25-20(19)14-6-8-15(23)9-7-14/h6-11,13,25H,3-5,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane				J Med Chem 51: 5798-806 (2008) Article DOI: 10.1021/jm8003224 BindingDB Entry DOI: 10.7270/Q2GF0VD5
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50417010 (CHEMBL1255723) Show SMILES CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r| Show InChI InChI=1S/C15H16N2/c1-2-12-14-11-6-4-3-5-10(11)7-15(12,14)13-8-16-9-17-13/h3-6,8-9,12,14H,2,7H2,1H3,(H,16,17)/t12-,14-,15+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50454686 (CHEMBL2112662) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(Cc4ccccc4C)CC3)cc12 Show InChI InChI=1S/C29H36N4O2/c1-23-6-3-4-7-25(23)21-31-14-18-33(19-15-31)29(34)22-35-26-11-10-24-8-5-9-28(27(24)20-26)32-16-12-30(2)13-17-32/h3-11,20H,12-19,21-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells				J Med Chem 40: 3974-8 (1998) Article DOI: 10.1021/jm9703552 BindingDB Entry DOI: 10.7270/Q2FT8K57
					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	0.204	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 [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50417019 (CHEMBL1256378) Show SMILES C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r| Show InChI InChI=1S/C14H14N2/c1-9-13-11-5-3-2-4-10(11)6-14(9,13)12-7-15-8-16-12/h2-5,7-9,13H,6H2,1H3,(H,15,16)/t9-,13+,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					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
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50417020 (CHEMBL1256609) Show SMILES C[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r| Show InChI InChI=1S/C14H14N2/c1-9-10-4-2-3-5-11(10)12-6-14(9,12)13-7-15-8-16-13/h2-5,7-9,12H,6H2,1H3,(H,15,16)/t9-,12+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21221 ((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21221 ((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in CHO cell membrane				J Med Chem 55: 1490-9 (2012) Article DOI: 10.1021/jm201177b BindingDB Entry DOI: 10.7270/Q2CR5VCS
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263700 (CHEMBL4083618) Show SMILES CCC(=O)NC[C@@H]1CCc2ccccc2[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H23NO/c1-2-19(22)21-14-17-13-12-15-8-6-7-11-18(15)20(17)16-9-4-3-5-10-16/h3-11,17,20H,2,12-14H2,1H3,(H,21,22)/t17-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	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 MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				J Med Chem 61: 3726-3737 (2018) Article DOI: 10.1021/acs.jmedchem.8b00359 BindingDB Entry DOI: 10.7270/Q2GM89RS
					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
Translocator protein (Rattus norvegicus (rat))	BDBM50253483 (CHEMBL492686 | N,N-dihexyl-2-(2-(4-nitrophenyl)-1H...) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C28H35N3O4/c1-3-5-7-11-19-30(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)29-26(25)21-15-17-22(18-16-21)31(34)35/h9-10,13-18,29H,3-8,11-12,19-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane				J Med Chem 51: 5798-806 (2008) Article DOI: 10.1021/jm8003224 BindingDB Entry DOI: 10.7270/Q2GF0VD5
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263699 (CHEMBL4061850) Show SMILES CCC(=O)NC[C@@H]1CCc2ccccc2[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H23NO/c1-2-19(22)21-14-17-13-12-15-8-6-7-11-18(15)20(17)16-9-4-3-5-10-16/h3-11,17,20H,2,12-14H2,1H3,(H,21,22)/t17-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.230	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 MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				J Med Chem 61: 3726-3737 (2018) Article DOI: 10.1021/acs.jmedchem.8b00359 BindingDB Entry DOI: 10.7270/Q2GM89RS
					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
Translocator protein (Rattus norvegicus (rat))	BDBM50253344 (CHEMBL493301 | N,N-dibutyl-2-(2-(4-nitrophenyl)-1H...) Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H27N3O4/c1-3-5-15-26(16-6-4-2)24(29)23(28)21-19-9-7-8-10-20(19)25-22(21)17-11-13-18(14-12-17)27(30)31/h7-14,25H,3-6,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane				J Med Chem 51: 5798-806 (2008) Article DOI: 10.1021/jm8003224 BindingDB Entry DOI: 10.7270/Q2GF0VD5
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50171396 (1-((R)-4-Amino-pyrazolo[3,4-d]pyrimidin-2-yl)-deca...) Show SMILES CCCCCCCCC(O)Cn1cc2c(N)ncnc2n1 Show InChI InChI=1S/C15H25N5O/c1-2-3-4-5-6-7-8-12(21)9-20-10-13-14(16)17-11-18-15(13)19-20/h10-12,21H,2-9H2,1H3,(H2,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibitory constant against bovine spleen Adenosine deaminase				J Med Chem 48: 5162-74 (2005) Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH
					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 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	0.288	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 [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					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
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50417019 (CHEMBL1256378) Show SMILES C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r| Show InChI InChI=1S/C14H14N2/c1-9-13-11-5-3-2-4-10(11)6-14(9,13)12-7-15-8-16-12/h2-5,7-9,13H,6H2,1H3,(H,15,16)/t9-,13+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50061299 (2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]...) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C)cc12 Show InChI InChI=1S/C28H34N4O2/c1-22-6-3-4-8-26(22)30-16-18-32(19-17-30)28(33)21-34-24-11-10-23-7-5-9-27(25(23)20-24)31-14-12-29(2)13-15-31/h3-11,20H,12-19,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells				J Med Chem 40: 3974-8 (1998) Article DOI: 10.1021/jm9703552 BindingDB Entry DOI: 10.7270/Q2FT8K57
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263729 (CHEMBL4074273) Show SMILES CC(=O)NCC1CN(c2ccccc2)c2ccccc2C1 Show InChI InChI=1S/C18H20N2O/c1-14(21)19-12-15-11-16-7-5-6-10-18(16)20(13-15)17-8-3-2-4-9-17/h2-10,15H,11-13H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	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 MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				J Med Chem 61: 3726-3737 (2018) Article DOI: 10.1021/acs.jmedchem.8b00359 BindingDB Entry DOI: 10.7270/Q2GM89RS
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263729 (CHEMBL4074273) Show SMILES CC(=O)NCC1CN(c2ccccc2)c2ccccc2C1 Show InChI InChI=1S/C18H20N2O/c1-14(21)19-12-15-11-16-7-5-6-10-18(16)20(13-15)17-8-3-2-4-9-17/h2-10,15H,11-13H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	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 MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				J Med Chem 61: 3726-3737 (2018) Article DOI: 10.1021/acs.jmedchem.8b00359 BindingDB Entry DOI: 10.7270/Q2GM89RS
					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
Translocator protein (Rattus norvegicus (rat))	BDBM50104776 (CHEMBL3597377) Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C26H26N2O2/c1-3-15-28(16-4-2)26(30)25(29)23-21-11-7-8-12-22(21)27-24(23)20-14-13-18-9-5-6-10-19(18)17-20/h5-14,17,27H,3-4,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes				J Med Chem 58: 6081-92 (2015) Article DOI: 10.1021/acs.jmedchem.5b00689 BindingDB Entry DOI: 10.7270/Q20003WH
					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
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50417009 (CHEMBL1255724) Show SMILES CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r| Show InChI InChI=1S/C16H18N2/c1-2-5-13-15-12-7-4-3-6-11(12)8-16(13,15)14-9-17-10-18-14/h3-4,6-7,9-10,13,15H,2,5,8H2,1H3,(H,17,18)/t13-,15-,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					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
Translocator protein (Rattus norvegicus (rat))	BDBM50253894 (CHEMBL517895 | N-butyl-2-(5-chloro-2-(4-chlorophen...) Show SMILES CCCCN(CC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22Cl2N2O2/c1-3-5-12-26(4-2)22(28)21(27)19-17-13-16(24)10-11-18(17)25-20(19)14-6-8-15(23)9-7-14/h6-11,13,25H,3-5,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane				J Med Chem 51: 5798-806 (2008) Article DOI: 10.1021/jm8003224 BindingDB Entry DOI: 10.7270/Q2GF0VD5
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50104772 (CHEMBL3597381) Show SMILES CCCCCN(C)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C26H26N2O2/c1-3-4-9-16-28(2)26(30)25(29)23-21-12-7-8-13-22(21)27-24(23)20-15-14-18-10-5-6-11-19(18)17-20/h5-8,10-15,17,27H,3-4,9,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes				J Med Chem 58: 6081-92 (2015) Article DOI: 10.1021/acs.jmedchem.5b00689 BindingDB Entry DOI: 10.7270/Q20003WH
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50253595 (2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-...) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C28H35FN2O2/c1-3-5-7-12-18-31(19-13-8-6-4-2)28(33)27(32)25-23-20-22(29)16-17-24(23)30-26(25)21-14-10-9-11-15-21/h9-11,14-17,20,30H,3-8,12-13,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane				J Med Chem 51: 5798-806 (2008) Article DOI: 10.1021/jm8003224 BindingDB Entry DOI: 10.7270/Q2GF0VD5
					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
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50454685 (CHEMBL2112660) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12 Show InChI InChI=1S/C28H31N5O2/c1-30-11-13-32(14-12-30)27-8-4-6-22-9-10-24(19-25(22)27)35-21-28(34)33-17-15-31(16-18-33)26-7-3-2-5-23(26)20-29/h2-10,19H,11-18,21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells				J Med Chem 40: 3974-8 (1998) Article DOI: 10.1021/jm9703552 BindingDB Entry DOI: 10.7270/Q2FT8K57
					More data for this Ligand-Target Pair

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