Compile Data Set for Download or QSAR

Found 2493 hits with Last Name = 'marinelli' and Initial = 'l'   

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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50177898 (2-Fluoro-N-[4-methoxymethyl-1-(2-thiophen-2-yl-eth...) Show SMILES COCC1(CCN(CCc2cccs2)CC1)N(C(=O)C(C)F)c1ccccc1 Show InChI InChI=1S/C22H29FN2O2S/c1-18(23)21(26)25(19-7-4-3-5-8-19)22(17-27-2)11-14-24(15-12-22)13-10-20-9-6-16-28-20/h3-9,16,18H,10-15,17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Technische Universität München Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor				J Med Chem 48: 7720-32 (2005) Article DOI: 10.1021/jm0507274 BindingDB Entry DOI: 10.7270/Q2G44PVB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50177895 (CHEMBL200456 | fluoromethyl 1-(2-phenylethyl)-4-(N...) Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)OCF Show InChI InChI=1S/C24H29FN2O3/c1-2-22(28)27(21-11-7-4-8-12-21)24(23(29)30-19-25)14-17-26(18-15-24)16-13-20-9-5-3-6-10-20/h3-12H,2,13-19H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Technische Universität München Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor				J Med Chem 48: 7720-32 (2005) Article DOI: 10.1021/jm0507274 BindingDB Entry DOI: 10.7270/Q2G44PVB
					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)	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
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	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
Translocator protein (Rattus norvegicus (rat))	BDBM50011484 (CHEMBL3261894) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 Show InChI InChI=1S/C24H20ClN3O/c1-2-28(16-17-10-4-3-5-11-17)24(29)23-26-21-15-9-7-13-19(21)22(27-23)18-12-6-8-14-20(18)25/h3-15H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM85618 (CHEMBL302765 | J1.251.181G | MRE 3008F20) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					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
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))	BDBM50011498 (CHEMBL3261908) Show SMILES CN(Cc1ccccc1)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C24H19ClN2O/c1-27(16-17-9-3-2-4-10-17)24(28)22-15-18-11-5-6-12-19(18)23(26-22)20-13-7-8-14-21(20)25/h2-15H,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.442	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011495 (CHEMBL3261905) Show SMILES CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 Show InChI InChI=1S/C25H22ClN3O/c1-3-29(16-18-14-12-17(2)13-15-18)25(30)24-27-22-11-7-5-9-20(22)23(28-24)19-8-4-6-10-21(19)26/h4-15H,3,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.489	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	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]DPCPX from human A1 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
Translocator protein (Rattus norvegicus (rat))	BDBM50104770 (CHEMBL3597383) Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C29H24N2O2/c1-2-31(19-20-10-4-3-5-11-20)29(33)28(32)26-24-14-8-9-15-25(24)30-27(26)23-17-16-21-12-6-7-13-22(21)18-23/h3-18,30H,2,19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	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))	BDBM50104771 (CHEMBL3597382) Show SMILES CCCCN(CC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C26H26N2O2/c1-3-5-16-28(4-2)26(30)25(29)23-21-12-8-9-13-22(21)27-24(23)20-15-14-18-10-6-7-11-19(18)17-20/h6-15,17,27H,3-5,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	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))	BDBM50104774 (CHEMBL3597379) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C32H38N2O2/c1-3-5-7-13-21-34(22-14-8-6-4-2)32(36)31(35)29-27-17-11-12-18-28(27)33-30(29)26-20-19-24-15-9-10-16-25(24)23-26/h9-12,15-20,23,33H,3-8,13-14,21-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.520	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))	BDBM50104779 (CHEMBL3597374) Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H28N2O2/c1-3-18-30(19-4-2)28(32)27(31)25-23-12-8-9-13-24(23)29-26(25)22-16-14-21(15-17-22)20-10-6-5-7-11-20/h5-17,29H,3-4,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	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))	BDBM50104775 (CHEMBL3597378) Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C28H30N2O2/c1-3-5-17-30(18-6-4-2)28(32)27(31)25-23-13-9-10-14-24(23)29-26(25)22-16-15-20-11-7-8-12-21(20)19-22/h7-16,19,29H,3-6,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	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))	BDBM50104773 (CHEMBL3597380) Show SMILES CCCCN(C)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C25H24N2O2/c1-3-4-15-27(2)25(29)24(28)22-20-11-7-8-12-21(20)26-23(22)19-14-13-17-9-5-6-10-18(17)16-19/h5-14,16,26H,3-4,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	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))	BDBM50011494 (CHEMBL3261904) Show SMILES CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1 Show InChI InChI=1S/C25H22FN3O/c1-3-29(16-18-14-12-17(2)13-15-18)25(30)24-27-22-11-7-5-9-20(22)23(28-24)19-8-4-6-10-21(19)26/h4-15H,3,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50180022 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	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]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 90: 526-36 (2015) Article DOI: 10.1016/j.ejmech.2014.11.066 BindingDB Entry DOI: 10.7270/Q270833D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50318268 (CHEMBL1096754 | N-(2-methyl-6-phenyl-2H-pyrazolo[3...) Show SMILES Cn1cc2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1 Show InChI InChI=1S/C19H15N5O/c1-24-12-15-17(22-19(25)14-10-6-3-7-11-14)20-16(21-18(15)23-24)13-8-4-2-5-9-13/h2-12H,1H3,(H,20,21,22,23,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50177899 (CHEMBL371710 | methyl 4-[(N-1-oxopropyl)-N-phenyla...) Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCCCCF)CC1)C(=O)OC Show InChI InChI=1S/C21H31FN2O3/c1-3-19(25)24(18-10-6-4-7-11-18)21(20(26)27-2)12-16-23(17-13-21)15-9-5-8-14-22/h4,6-7,10-11H,3,5,8-9,12-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor				J Med Chem 48: 7720-32 (2005) Article DOI: 10.1021/jm0507274 BindingDB Entry DOI: 10.7270/Q2G44PVB
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011486 (CHEMBL3261896) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 Show InChI InChI=1S/C24H20ClN3O/c1-2-28(16-17-8-4-3-5-9-17)24(29)23-26-21-11-7-6-10-20(21)22(27-23)18-12-14-19(25)15-13-18/h3-15H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.762	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011483 (CHEMBL3261893) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1 Show InChI InChI=1S/C24H20FN3O/c1-2-28(16-17-10-4-3-5-11-17)24(29)23-26-21-15-9-7-13-19(21)22(27-23)18-12-6-8-14-20(18)25/h3-15H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.888	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50104780 (CHEMBL3597373) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccsc1 Show InChI InChI=1S/C26H34N2O2S/c1-3-5-7-11-16-28(17-12-8-6-4-2)26(30)25(29)23-21-13-9-10-14-22(21)27-24(23)20-15-18-31-19-20/h9-10,13-15,18-19,27H,3-8,11-12,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.890	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50294132 (CHEMBL561963 | N-hydroxy-2-(N-isopropoxy-4'-isopro...) Show SMILES CC(C)ON(C(C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C23H32N2O5S/c1-15(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)31(28,29)25(30-17(5)6)22(16(3)4)23(26)24-27/h7-17,22,27H,1-6H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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 MMP2				J Med Chem 52: 4757-73 (2009) Article DOI: 10.1021/jm900261f BindingDB Entry DOI: 10.7270/Q2JW8DXN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011481 (CHEMBL3261891) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C24H21N3O/c1-2-27(17-18-11-5-3-6-12-18)24(28)23-25-21-16-10-9-15-20(21)22(26-23)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011497 (CHEMBL3261907) Show SMILES CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1 Show InChI InChI=1S/C23H18FN3O/c1-27(15-16-9-3-2-4-10-16)23(28)22-25-20-14-8-6-12-18(20)21(26-22)17-11-5-7-13-19(17)24/h2-14H,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50104782 (CHEMBL3597371) Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccsc1 Show InChI InChI=1S/C20H22N2O2S/c1-3-10-22(11-4-2)20(24)19(23)17-15-7-5-6-8-16(15)21-18(17)14-9-12-25-13-14/h5-9,12-13,21H,3-4,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50177897 (2-fluoroethyl 1-(2-phenylethyl)-4-(N-phenylpropana...) Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)OCCF Show InChI InChI=1S/C25H31FN2O3/c1-2-23(29)28(22-11-7-4-8-12-22)25(24(30)31-20-16-26)14-18-27(19-15-25)17-13-21-9-5-3-6-10-21/h3-12H,2,13-20H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor				J Med Chem 48: 7720-32 (2005) Article DOI: 10.1021/jm0507274 BindingDB Entry DOI: 10.7270/Q2G44PVB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50088369 (1-{10-[3-(3-Chloro-phenyl)-allyl]-9,10-diaza-tricy...) Show SMILES CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc(Cl)c1 |TLB:2:4:13:10.11,10:9:4:7.6,11:12:4:7.6,THB:7:8:13:10.11,6:5:13:10.11,14:13:4.5.8:10.11,14:13:4:7.6| Show InChI InChI=1S/C20H25ClN2O/c1-2-20(24)23-18-10-11-19(23)17-9-8-16(18)22(17)12-4-6-14-5-3-7-15(21)13-14/h3-7,13,16-19H,2,8-12H2,1H3/b6-4+/t16-,17?,18-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Chimica Farmaceutica e Tossicologica Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1 was determined in rat brain homogenate using 3- arylpropenyl-8-propionyl-DBO derivative (3)				J Med Chem 43: 2115-23 (2000) BindingDB Entry DOI: 10.7270/Q22N51HT
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348154 (CHEMBL1800783) Show SMILES CC[C@@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C |r| Show InChI InChI=1S/C17H21N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,18H,1,6-7,9H2,2-4H3/t10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50294132 (CHEMBL561963 | N-hydroxy-2-(N-isopropoxy-4'-isopro...) Show SMILES CC(C)ON(C(C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C23H32N2O5S/c1-15(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)31(28,29)25(30-17(5)6)22(16(3)4)23(26)24-27/h7-17,22,27H,1-6H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	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 MMP13-mediated collagen degradation by SDS-PAGE				J Med Chem 52: 4757-73 (2009) Article DOI: 10.1021/jm900261f BindingDB Entry DOI: 10.7270/Q2JW8DXN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011487 (CHEMBL3261897) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(C)cc2)c2ccccc2n1 Show InChI InChI=1S/C25H23N3O/c1-3-28(17-19-9-5-4-6-10-19)25(29)24-26-22-12-8-7-11-21(22)23(27-24)20-15-13-18(2)14-16-20/h4-16H,3,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50517320 (CHEMBL4568153) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C51H66N10O12S2/c1-28(2)43(51(72)73)60-48(69)40-27-75-74-26-39(58-44(65)34(53)24-42(63)64)47(68)57-38(22-29-11-5-4-6-12-29)50(71)61(3)41(23-31-25-54-35-14-8-7-13-33(31)35)49(70)55-36(15-9-10-20-52)45(66)56-37(46(67)59-40)21-30-16-18-32(62)19-17-30/h4-8,11-14,16-19,25,28,34,36-41,43,54,62H,9-10,15,20-24,26-27,52-53H2,1-3H3,(H,55,70)(H,56,66)(H,57,68)(H,58,65)(H,59,67)(H,60,69)(H,63,64)(H,72,73)/t34-,36-,37-,38-,39-,40-,41-,43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601 BindingDB Entry DOI: 10.7270/Q2PV6PRV
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011485 (CHEMBL3261895) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(F)cc2)c2ccccc2n1 Show InChI InChI=1S/C24H20FN3O/c1-2-28(16-17-8-4-3-5-9-17)24(29)23-26-21-11-7-6-10-20(21)22(27-23)18-12-14-19(25)15-13-18/h3-15H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50517327 (CHEMBL4472928) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H66N10O10S2/c1-28(2)42(50(69)70)59-47(66)40-26-71-72-27-41(60(4)49(68)29(3)52)48(67)57-38(22-30-12-6-5-7-13-30)44(63)56-39(24-32-25-53-35-15-9-8-14-34(32)35)46(65)54-36(16-10-11-21-51)43(62)55-37(45(64)58-40)23-31-17-19-33(61)20-18-31/h5-9,12-15,17-20,25,28-29,36-42,53,61H,10-11,16,21-24,26-27,51-52H2,1-4H3,(H,54,65)(H,55,62)(H,56,63)(H,57,67)(H,58,64)(H,59,66)(H,69,70)/t29-,36-,37-,38-,39-,40-,41-,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601 BindingDB Entry DOI: 10.7270/Q2PV6PRV
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50104777 (CHEMBL3597376) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H40N2O2/c1-3-5-7-14-24-36(25-15-8-6-4-2)34(38)33(37)31-29-18-12-13-19-30(29)35-32(31)28-22-20-27(21-23-28)26-16-10-9-11-17-26/h9-13,16-23,35H,3-8,14-15,24-25H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348163 (CHEMBL1800862) Show SMILES CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)no1 Show InChI InChI=1S/C16H18N6O3/c1-4-6-21-15-12(14-17-9(5-2)8-22(14)16(21)23)18-13(19-15)10-7-11(24-3)20-25-10/h4,7,9,17H,1,5-6,8H2,2-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348153 (CHEMBL1800782) Show SMILES CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C Show InChI InChI=1S/C17H21N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,18H,1,6-7,9H2,2-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of binding to alphaV-beta3 integrin				J Med Chem 46: 4393-404 (2003) Article DOI: 10.1021/jm020577m BindingDB Entry DOI: 10.7270/Q2RX9D95
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50036738 ((R)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...) Show SMILES O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50177894 (2-Fluoro-N-(1-phenethyl-piperidin-4-yl)-N-phenyl-p...) Show SMILES CC(F)C(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H27FN2O/c1-18(23)22(26)25(20-10-6-3-7-11-20)21-13-16-24(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor				J Med Chem 48: 7720-32 (2005) Article DOI: 10.1021/jm0507274 BindingDB Entry DOI: 10.7270/Q2G44PVB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50517312 (CHEMBL4526244) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H66N10O10S2/c1-28(2)42(50(69)70)59-47(66)40-27-72-71-26-39(57-43(62)29(3)52)46(65)56-38(23-30-12-6-5-7-13-30)49(68)60(4)41(24-32-25-53-35-15-9-8-14-34(32)35)48(67)54-36(16-10-11-21-51)44(63)55-37(45(64)58-40)22-31-17-19-33(61)20-18-31/h5-9,12-15,17-20,25,28-29,36-42,53,61H,10-11,16,21-24,26-27,51-52H2,1-4H3,(H,54,67)(H,55,63)(H,56,65)(H,57,62)(H,58,64)(H,59,66)(H,69,70)/t29-,36-,37-,38-,39-,40-,41-,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601 BindingDB Entry DOI: 10.7270/Q2PV6PRV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348174 (CHEMBL1625681) Show SMILES CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1 Show InChI InChI=1S/C16H17N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11,17H,3,9H2,1-2H3/t11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity to human recombinant A3 adenosine receptor by radioligand binding assay				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348152 (CHEMBL1800781) Show SMILES COc1cc(-c2nc3c4NC(C)Cn4c(=O)n(CC=C)c3n2)n(C)n1 Show InChI InChI=1S/C16H19N7O2/c1-5-6-22-15-12(14-17-9(2)8-23(14)16(22)24)18-13(19-15)10-7-11(25-4)20-21(10)3/h5,7,9,17H,1,6,8H2,2-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348155 (CHEMBL1800784) Show SMILES CC[C@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C |r| Show InChI InChI=1S/C17H21N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,18H,1,6-7,9H2,2-4H3/t10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348157 (CHEMBL1800786) Show SMILES COc1cc(-c2nc3N(Cc4ccccc4)C(=O)N4C[C@@H](C)N=C4c3[nH]2)n(C)n1 |r,c:23| Show InChI InChI=1S/C20H21N7O2/c1-12-10-26-18(21-12)16-19(27(20(26)28)11-13-7-5-4-6-8-13)23-17(22-16)14-9-15(29-3)24-25(14)2/h4-9,12H,10-11H2,1-3H3,(H,22,23)/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair				3D Structure (crystal)

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