Compile Data Set for Download or QSAR

Found 147 hits with Last Name = 'matarrese' 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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano-Bicocca Curated by ChEMBL					Assay Description Inhibitory activity against human adenosine A2A receptor expressed in HEK-293 cells by displacement of [3H]-SCH-58,261				J Med Chem 43: 4359-62 (2000) BindingDB Entry DOI: 10.7270/Q2Z037C8
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50409614 (CHEMBL5288131) Show SMILES OC(=O)C1CCN(CC1)C1CN(CCC2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C26H35Cl2N3O3/c27-22-4-3-20(13-23(22)28)26(8-5-24(32)31(17-26)14-18-1-2-18)9-12-29-15-21(16-29)30-10-6-19(7-11-30)25(33)34/h3-4,13,18-19,21H,1-2,5-12,14-17H2,(H,33,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50176070 (7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...) Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)	KEGG UniProtKB/SwissProt 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
University of Milano/Bicocca Curated by ChEMBL					Assay Description Binding affinity for rat dopamine D3 receptor using [11C] radiotracer				J Med Chem 48: 7018-23 (2005) Article DOI: 10.1021/jm050171k BindingDB Entry DOI: 10.7270/Q2H994SR
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50409613 (CHEMBL5275028) Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCC(=O)CC2)CCC(=O)N(CC2CC2)C1 Show InChI InChI=1S/C25H33Cl2N3O2/c26-22-4-3-19(13-23(22)27)25(8-5-24(32)30(17-25)14-18-1-2-18)9-12-28-15-20(16-28)29-10-6-21(31)7-11-29/h3-4,13,18,20H,1-2,5-12,14-17H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano-Bicocca Curated by ChEMBL					Assay Description Inhibitory activity against adenosine A2A receptor in rat striatal membranes by displacement of [3H]-SCH-58,261				J Med Chem 43: 4359-62 (2000) BindingDB Entry DOI: 10.7270/Q2Z037C8
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM22041 (2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Dihydrofolate reductase of Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50122041 (1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...) Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)	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
University of Milano/Bicocca Curated by ChEMBL					Assay Description Binding affinity for rat dopamine D3 receptor using [11C] radiotracer				J Med Chem 48: 7018-23 (2005) Article DOI: 10.1021/jm050171k BindingDB Entry DOI: 10.7270/Q2H994SR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50137626 (5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-...) Show SMILES COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC Show InChI InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)	KEGG UniProtKB/SwissProt 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
University of Milano/Bicocca Curated by ChEMBL					Assay Description Binding affinity for rat dopamine D3 receptor using [11C]-GR-218,231				J Med Chem 48: 7018-23 (2005) Article DOI: 10.1021/jm050171k BindingDB Entry DOI: 10.7270/Q2H994SR
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50363523 (CHEMBL1944785) Show SMILES CCN(CC)C(=O)[C@H]1CCCc2c1c1c(OC)cccc1n2CCF |r| Show InChI InChI=1S/C20H27FN2O2/c1-4-22(5-2)20(24)14-8-6-9-15-18(14)19-16(23(15)13-12-21)10-7-11-17(19)25-3/h7,10-11,14H,4-6,8-9,12-13H2,1-3H3/t14-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Dihydrofolate reductase of Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50045880 (2-[5-Chloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-N,N...) Show SMILES CCCN(CCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H24Cl2N2O/c1-3-11-26(12-4-2)21(27)14-19-18-13-17(24)9-10-20(18)25-22(19)15-5-7-16(23)8-6-15/h5-10,13,25H,3-4,11-12,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea				Citation and Details
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50243007 (2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCF)cc1 Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver				Citation and Details
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50176070 (7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...) Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano/Bicocca Curated by ChEMBL					Assay Description Binding affinity for rat Alpha-1A adrenergic receptor using [11C] radiotracer				J Med Chem 48: 7018-23 (2005) Article DOI: 10.1021/jm050171k BindingDB Entry DOI: 10.7270/Q2H994SR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50176070 (7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...) Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano/Bicocca Curated by ChEMBL					Assay Description Binding affinity for rat Opioid receptor sigma 1 using [11C] radiotracer				J Med Chem 48: 7018-23 (2005) Article DOI: 10.1021/jm050171k BindingDB Entry DOI: 10.7270/Q2H994SR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50176070 (7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...) Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano/Bicocca Curated by ChEMBL					Assay Description Binding affinity for rat 5-Hydroxytryptamine receptor using [11C] radiotracer				J Med Chem 48: 7018-23 (2005) Article DOI: 10.1021/jm050171k BindingDB Entry DOI: 10.7270/Q2H994SR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50122041 (1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...) Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	342	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano/Bicocca Curated by ChEMBL					Assay Description Binding affinity for rat Opioid receptor sigma 1 using [11C] radiotracer				J Med Chem 48: 7018-23 (2005) Article DOI: 10.1021/jm050171k BindingDB Entry DOI: 10.7270/Q2H994SR
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50176070 (7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...) Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	373	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano/Bicocca Curated by ChEMBL					Assay Description Binding affinity for rat dopamine D4 receptor using [11C] radiotracer				J Med Chem 48: 7018-23 (2005) Article DOI: 10.1021/jm050171k BindingDB Entry DOI: 10.7270/Q2H994SR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50122041 (1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...) Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	575	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano/Bicocca Curated by ChEMBL					Assay Description Binding affinity for rat 5-Hydroxytryptamine receptor using [11C] radiotracer				J Med Chem 48: 7018-23 (2005) Article DOI: 10.1021/jm050171k BindingDB Entry DOI: 10.7270/Q2H994SR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50176070 (7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...) Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano/Bicocca Curated by ChEMBL					Assay Description Binding affinity towards rat dopamine D2 receptor using [11C] radiotracer				J Med Chem 48: 7018-23 (2005) Article DOI: 10.1021/jm050171k BindingDB Entry DOI: 10.7270/Q2H994SR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50122041 (1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...) Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano/Bicocca Curated by ChEMBL					Assay Description Binding affinity towards rat dopamine D2 receptor using [11C] radiotracer				J Med Chem 48: 7018-23 (2005) Article DOI: 10.1021/jm050171k BindingDB Entry DOI: 10.7270/Q2H994SR
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50122041 (1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...) Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano/Bicocca Curated by ChEMBL					Assay Description Binding affinity for rat dopamine D4 receptor using [11C] radiotracer				J Med Chem 48: 7018-23 (2005) Article DOI: 10.1021/jm050171k BindingDB Entry DOI: 10.7270/Q2H994SR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano-Bicocca Curated by ChEMBL					Assay Description Inhibitory activity against human adenosine A1 receptor expressed in CHO cells by displacement of [3H]-DPCPX				J Med Chem 43: 4359-62 (2000) BindingDB Entry DOI: 10.7270/Q2Z037C8
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano-Bicocca Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from adenosine A1 receptor in rat brain membranes				J Med Chem 43: 4359-62 (2000) BindingDB Entry DOI: 10.7270/Q2Z037C8
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50122041 (1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...) Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano/Bicocca Curated by ChEMBL					Assay Description Binding affinity for rat Alpha-1A adrenergic receptor using [11C] radiotracer				J Med Chem 48: 7018-23 (2005) Article DOI: 10.1021/jm050171k BindingDB Entry DOI: 10.7270/Q2H994SR
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano-Bicocca Curated by ChEMBL					Assay Description Inhibitory activity against rat adenosine A3 receptor expressed in HEK-293 cells by displacement of [125I]-AB-MECA				J Med Chem 43: 4359-62 (2000) BindingDB Entry DOI: 10.7270/Q2Z037C8
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano-Bicocca Curated by ChEMBL					Assay Description Inhibitory activity against human adenosine A2B receptor expressed in HEK-293 cells by displacement of [3H]-DPCPX				J Med Chem 43: 4359-62 (2000) BindingDB Entry DOI: 10.7270/Q2Z037C8
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano-Bicocca Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK-293 cells				J Med Chem 43: 4359-62 (2000) BindingDB Entry DOI: 10.7270/Q2Z037C8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140783 (2-Hydroxymethyl-4-phenyl-quinoline-3-carboxylic ac...) Show SMILES OCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H18F6N2O2/c27-25(28,29)17-10-15(11-18(12-17)26(30,31)32)13-33-24(36)23-21(14-35)34-20-9-5-4-8-19(20)22(23)16-6-2-1-3-7-16/h1-12,35H,13-14H2,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.000100	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140770 (2-Aminomethyl-4-phenyl-quinoline-3-carboxylic acid...) Show SMILES NCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H19F6N3O/c27-25(28,29)17-10-15(11-18(12-17)26(30,31)32)14-34-24(36)23-21(13-33)35-20-9-5-4-8-19(20)22(23)16-6-2-1-3-7-16/h1-12H,13-14,33H2,(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00170	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140773 (2-Bromomethyl-4-phenyl-quinoline-3-carboxylic acid...) Show SMILES FC(F)(F)c1cc(CNC(=O)c2c(CBr)nc3ccccc3c2-c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H17BrF6N2O/c27-13-21-23(22(16-6-2-1-3-7-16)19-8-4-5-9-20(19)35-21)24(36)34-14-15-10-17(25(28,29)30)12-18(11-15)26(31,32)33/h1-12H,13-14H2,(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140785 (2-Methylaminomethyl-4-phenyl-quinoline-3-carboxyli...) Show SMILES CNCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H21F6N3O/c1-34-15-22-24(23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)36-22)25(37)35-14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h2-13,34H,14-15H2,1H3,(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0110	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140786 (4-Phenyl-quinoline-3-carboxylic acid (3,5-bis-trif...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1cnc2ccccc2c1-c1ccccc1 Show InChI InChI=1S/C26H18F6N2O/c1-34(15-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)24(35)21-14-33-22-10-6-5-9-20(22)23(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140772 (2-Methyl-4-phenyl-quinoline-3-carboxylic acid 3,5-...) Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H18F6N2O/c1-15-22(23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)34-15)24(35)33-14-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32/h2-13H,14H2,1H3,(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0750	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50418331 (SPERGUALIN) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CC[C@@H](C[C@H]1Cc1ccc(Cl)cc1)NC(=O)c1ccnc2ccccc12 |r| Show InChI InChI=1S/C31H24ClF6N3O2/c32-22-7-5-18(6-8-22)13-24-17-23(40-28(42)26-9-11-39-27-4-2-1-3-25(26)27)10-12-41(24)29(43)19-14-20(30(33,34)35)16-21(15-19)31(36,37)38/h1-9,11,14-16,23-24H,10,12-13,17H2,(H,40,42)/t23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0794	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human NK1 receptor				Bioorg Med Chem 19: 2242-51 (2011) Article DOI: 10.1016/j.bmc.2011.02.031 BindingDB Entry DOI: 10.7270/Q2QJ7J8H
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50001450 ((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140774 (2-Dimethylaminomethyl-4-phenyl-quinoline-3-carboxy...) Show SMILES CN(C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H23F6N3O/c1-37(2)16-23-25(24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)36-23)26(38)35-15-17-12-19(27(29,30)31)14-20(13-17)28(32,33)34/h3-14H,15-16H2,1-2H3,(H,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22041 (2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Dihydrofolate reductase of Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50001450 ((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from human recombinant NK1 receptor expressed in CHO cells after 90 mins				Bioorg Med Chem 19: 2242-51 (2011) Article DOI: 10.1016/j.bmc.2011.02.031 BindingDB Entry DOI: 10.7270/Q2QJ7J8H
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140771 (((2R,3R)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES Ic1ccccc1CN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |r,wU:9.9,16.19,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(23.35,-28.77,;24.59,-29.47,;25.82,-28.74,;27.08,-29.44,;27.09,-30.88,;25.86,-31.6,;24.61,-30.89,;23.38,-31.62,;23.39,-33.05,;22.16,-33.77,;20.81,-33.16,;19.33,-33.8,;19.53,-35.19,;21.07,-34.54,;21.32,-32.62,;20.87,-31.51,;22.44,-35.17,;23.21,-36.5,;24.75,-36.5,;25.52,-37.85,;27.07,-37.85,;27.84,-36.5,;27.07,-35.16,;25.52,-35.17,;22.43,-37.84,;20.88,-37.84,;20.11,-39.17,;20.88,-40.52,;22.44,-40.51,;23.21,-39.17,)| Show InChI InChI=1S/C27H29IN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Dihydrofolate reductase of Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM50059749 (3-Methyl-4-phenyl-quinoline-2-carboxylic acid benz...) Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1 Show InChI InChI=1S/C25H22N2O/c1-18-23(20-13-7-4-8-14-20)21-15-9-10-16-22(21)26-24(18)25(28)27(2)17-19-11-5-3-6-12-19/h3-16H,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat liver Dihydrofolate reductase.				Citation and Details
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50059754 (3-Methyl-4-phenyl-quinoline-2-carboxylic acid sec-...) Show SMILES CCC(C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1C Show InChI InChI=1S/C22H24N2O/c1-5-15(2)24(4)22(25)21-16(3)20(17-11-7-6-8-12-17)18-13-9-10-14-19(18)23-21/h6-15H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Dihydrofolate reductase of Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50131729 (4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...) Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(11.02,-3.02,;11.02,-1.48,;12.35,-.71,;13.68,-1.47,;15,-.68,;16.34,-1.45,;16.36,-2.99,;15.03,-3.76,;13.68,-3.01,;9.68,-.72,;9.67,.82,;8.35,-1.5,;7.01,-.73,;5.69,-1.52,;4.35,-.75,;3.02,-1.52,;3.02,-3.06,;4.35,-3.83,;5.69,-3.06,;7.03,-3.83,;8.36,-3.04,;9.69,-3.81,;7.03,-5.35,;5.69,-6.12,;5.69,-7.66,;7.03,-8.43,;8.36,-7.65,;8.36,-6.12,;9.69,-5.34,)| Show InChI InChI=1S/C25H21FN2O/c1-17-23(19-12-6-8-14-21(19)26)20-13-7-9-15-22(20)27-24(17)25(29)28(2)16-18-10-4-3-5-11-18/h3-15H,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver				Citation and Details
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50059755 (4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...) Show SMILES CCC(C)N(C)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(5.27,-7.89,;3.94,-8.66,;3.95,-10.2,;5.3,-10.97,;2.62,-10.99,;2.64,-12.53,;1.29,-10.23,;1.27,-8.69,;-.04,-11.01,;-1.38,-10.25,;-2.7,-11.02,;-4.04,-10.25,;-5.37,-11.04,;-5.37,-12.58,;-4.04,-13.35,;-2.7,-12.56,;-1.37,-13.33,;-.02,-12.55,;1.31,-13.31,;-1.37,-14.87,;-2.7,-15.64,;-2.7,-17.18,;-1.37,-17.95,;-.02,-17.16,;-.04,-15.63,;1.29,-14.86,)| Show InChI InChI=1S/C22H23FN2O/c1-5-14(2)25(4)22(26)21-15(3)20(16-10-6-8-12-18(16)23)17-11-7-9-13-19(17)24-21/h6-14H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat liver Dihydrofolate reductase.				Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140776 (2-Methyl-4-phenyl-quinoline-3-carboxylic acid (3,5...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(C)nc2ccccc2c1-c1ccccc1 Show InChI InChI=1S/C27H20F6N2O/c1-16-23(24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)34-16)25(36)35(2)15-17-12-19(26(28,29)30)14-20(13-17)27(31,32)33/h3-14H,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50059758 (4-Methyl-1-phenyl-isoquinoline-3-carboxylic acid b...) Show SMILES CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2ccccc2c1C Show InChI InChI=1S/C25H22N2O/c1-18-21-15-9-10-16-22(21)24(20-13-7-4-8-14-20)26-23(18)25(28)27(2)17-19-11-5-3-6-12-19/h3-16H,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the inhibition of chicken liver Dihydrofolate reductase by using standard enzyme assay				Citation and Details
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50059739 (4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(2.64,-12.53,;2.62,-10.99,;3.95,-10.2,;5.3,-10.97,;6.61,-10.18,;7.94,-10.94,;7.96,-12.49,;9.29,-13.25,;6.63,-13.26,;5.3,-12.51,;1.29,-10.23,;1.27,-8.69,;-.04,-11.01,;-1.38,-10.25,;-2.7,-11.02,;-4.04,-10.25,;-5.37,-11.04,;-5.37,-12.58,;-4.04,-13.35,;-2.7,-12.56,;-1.37,-13.33,;-.02,-12.55,;1.31,-13.31,;-1.37,-14.87,;-2.7,-15.64,;-2.7,-17.18,;-1.37,-17.95,;-.02,-17.16,;-.04,-15.63,;1.29,-14.86,)| Show InChI InChI=1S/C25H20ClFN2O/c1-16-23(19-7-3-5-9-21(19)27)20-8-4-6-10-22(20)28-24(16)25(30)29(2)15-17-11-13-18(26)14-12-17/h3-14H,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat liver Dihydrofolate reductase.				Citation and Details
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50098694 (3-[(Benzyl-ethyl-amino)-methyl]-4-phenyl-quinoline...) Show SMILES CCN(Cc1ccccc1)Cc1c(nc2ccccc2c1-c1ccccc1)C(=O)N(CC)CC Show InChI InChI=1S/C30H33N3O/c1-4-32(21-23-15-9-7-10-16-23)22-26-28(24-17-11-8-12-18-24)25-19-13-14-20-27(25)31-29(26)30(34)33(5-2)6-3/h7-20H,4-6,21-22H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei				Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50342013 (CHEMBL1765500 | N-[3,5-Bis(trifluoromethyl)benzyl]...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(C)nc(cc1-c1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C28H28F6N4O/c1-18-25(23(20-7-5-4-6-8-20)16-24(35-18)38-11-9-36(2)10-12-38)26(39)37(3)17-19-13-21(27(29,30)31)15-22(14-19)28(32,33)34/h4-8,13-16H,9-12,17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from human recombinant NK1 receptor expressed in CHO cells after 90 mins				Bioorg Med Chem 19: 2242-51 (2011) Article DOI: 10.1016/j.bmc.2011.02.031 BindingDB Entry DOI: 10.7270/Q2QJ7J8H
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50059738 (3-Methyl-4-phenyl-quinoline-2-carboxylic acid (4-c...) Show SMILES CN(C(=O)c1nc2ccccc2c(c1C)-c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H19ClN2O/c1-16-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)26-23(16)24(28)27(2)19-14-12-18(25)13-15-19/h3-15H,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for inhibitory activity against Dihydrofolate Reductase(DHFR) of rat liver				Citation and Details
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)

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