Compile Data Set for Download or QSAR

Found 333 hits with Last Name = 'kufareva' and Initial = 'i'   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50063266 (6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...) Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1 Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human SERT				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563426 (CHEMBL4783861) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCSC#N Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA-(R) from human CCR2b expressed in human U2OS cell membranes pre-incubated for 4 hrs before radio ligand addition and mea...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563426 (CHEMBL4783861) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCSC#N Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA-(R) from human CCR2b expressed in human U2OS cell membranes pre-incubated for 4 hrs before radio ligand addition and mea...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105212 (2-(4-Nonyl-piperazin-1-yl)-6-nitroquinoline (9)) Show SMILES CCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C22H32N4O2/c1-2-3-4-5-6-7-8-13-24-14-16-25(17-15-24)22-12-9-19-18-20(26(27)28)10-11-21(19)23-22/h9-12,18H,2-8,13-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	-49.9	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563426 (CHEMBL4783861) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCSC#N Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA-(R) from human CCR2b expressed in human U2OS cell membranes pre-incubated for 0 hrs before radio ligand addition and mea...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563426 (CHEMBL4783861) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCSC#N Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA-(R) from human CCR2b expressed in human U2OS cell membranes pre-incubated for 0 hrs before radio ligand addition and mea...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563422 (CHEMBL4760108) Show SMILES OC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA-(R) from human CCR2b expressed in human U2OS cell membranes pre-incubated for 0 hrs before radio ligand addition and mea...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563426 (CHEMBL4783861) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCSC#N Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA from human CCR2b expressed in human U2OS cell membranes incubated for 2 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563426 (CHEMBL4783861) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCSC#N Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA from human CCR2b expressed in human U2OS cell membranes incubated for 2 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563422 (CHEMBL4760108) Show SMILES OC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA-(R) from human CCR2b expressed in human U2OS cell membranes pre-incubated for 0 hrs before radio ligand addition and mea...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105213 (2-(4-Decyl-piperazin-1-yl)-6-nitroquinoline (10)) Show SMILES CCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C23H34N4O2/c1-2-3-4-5-6-7-8-9-14-25-15-17-26(18-16-25)23-13-10-20-19-21(27(28)29)11-12-22(20)24-23/h10-13,19H,2-9,14-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.5	-47.6	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563422 (CHEMBL4760108) Show SMILES OC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA from human CCR2b expressed in human U2OS cell membranes incubated for 2 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563422 (CHEMBL4760108) Show SMILES OC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA-(R) from human CCR2b expressed in human U2OS cell membranes pre-incubated for 4 hrs before radio ligand addition and mea...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563422 (CHEMBL4760108) Show SMILES OC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA from human CCR2b expressed in human U2OS cell membranes incubated for 2 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563422 (CHEMBL4760108) Show SMILES OC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA-(R) from human CCR2b expressed in human U2OS cell membranes pre-incubated for 4 hrs before radio ligand addition and mea...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM25876 (4,4-dimethyl-1-{4-[4-(quinolin-2-yl)piperazin-1-yl...) Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C(=O)C1 Show InChI InChI=1S/C24H32N4O2/c1-24(2)17-22(29)28(23(30)18-24)12-6-5-11-26-13-15-27(16-14-26)21-10-9-19-7-3-4-8-20(19)25-21/h3-4,7-10H,5-6,11-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105214 (2-(4-Undecyl-piperazin-1-yl)-6-nitroquinoline (11)) Show SMILES CCCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C24H36N4O2/c1-2-3-4-5-6-7-8-9-10-15-26-16-18-27(19-17-26)24-14-11-21-20-22(28(29)30)12-13-23(21)25-24/h11-14,20H,2-10,15-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12.6	-45.1	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM25869 (2-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]but...) Show SMILES CC1CN(CCN1CCCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C26H28N4O2/c1-19-18-29(24-13-12-20-8-2-5-11-23(20)27-24)17-16-28(19)14-6-7-15-30-25(31)21-9-3-4-10-22(21)26(30)32/h2-5,8-13,19H,6-7,14-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50363815 (CHEMBL1945686) Show SMILES CC1CN(CCN1CCCCN1C(=O)CC(C)(C)CC1=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C25H34N4O2/c1-19-18-28(22-11-10-20-8-4-5-9-21(20)26-22)15-14-27(19)12-6-7-13-29-23(30)16-25(2,3)17-24(29)31/h4-5,8-11,19H,6-7,12-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105215 (2-(4-Dodecyl-piperazin-1-yl)-6-nitroquinoline (12)) Show SMILES CCCCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C25H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-16-27-17-19-28(20-18-27)25-15-12-22-21-23(29(30)31)13-14-24(22)26-25/h12-15,21H,2-11,16-20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16.1	-44.5	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563424 (CHEMBL4793148) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCNC(=O)C=C Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA from human CCR2b expressed in human U2OS cell membranes incubated for 2 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105211 (2-(4-Octyl-piperazin-1-yl)-6-nitroquinoline (8)) Show SMILES CCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C21H30N4O2/c1-2-3-4-5-6-7-12-23-13-15-24(16-14-23)21-11-8-18-17-19(25(26)27)9-10-20(18)22-21/h8-11,17H,2-7,12-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20.8	-43.8	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563424 (CHEMBL4793148) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCNC(=O)C=C Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA from human CCR2b expressed in human U2OS cell membranes incubated for 2 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM25873 (8-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]but...) Show SMILES CC1CN(CCN1CCCCN1C(=O)CC2(CCCC2)CC1=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C27H36N4O2/c1-21-20-30(24-11-10-22-8-2-3-9-23(22)28-24)17-16-29(21)14-6-7-15-31-25(32)18-27(19-26(31)33)12-4-5-13-27/h2-3,8-11,21H,4-7,12-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105207 (2-(4-Butyl-piperazin-1-yl)-6-nitroquinoline (4)) Show SMILES CCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C17H22N4O2/c1-2-3-8-19-9-11-20(12-10-19)17-7-4-14-13-15(21(22)23)5-6-16(14)18-17/h4-7,13H,2-3,8-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	-43.5	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50014407 (2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...) Show SMILES C1CN(CCN1)c1ccc2ccccc2n1 Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human SERT				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563423 (CHEMBL4791522) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN=C=S Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA from human CCR2b expressed in human U2OS cell membranes incubated for 2 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563423 (CHEMBL4791522) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN=C=S Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA from human CCR2b expressed in human U2OS cell membranes incubated for 2 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50306766 (CHEMBL604535 | N2-(5-chloro-2-methoxyphenyl)-6-(3-...) Show SMILES COc1ccc(Cl)cc1Nc1nc(N)nc(n1)-c1oc2ccccc2c1C Show InChI InChI=1S/C19H16ClN5O2/c1-10-12-5-3-4-6-14(12)27-16(10)17-23-18(21)25-19(24-17)22-13-9-11(20)7-8-15(13)26-2/h3-9H,1-2H3,(H3,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human adenosine 2A receptor				J Med Chem 53: 1799-809 (2010) Article DOI: 10.1021/jm901647p BindingDB Entry DOI: 10.7270/Q20P1037
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM25871 (1-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]but...) Show SMILES CC1CN(CCN1CCCCN1C(=O)CCCC1=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C23H30N4O2/c1-18-17-26(21-12-11-19-7-2-3-8-20(19)24-21)16-15-25(18)13-4-5-14-27-22(28)9-6-10-23(27)29/h2-3,7-8,11-12,18H,4-6,9-10,13-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM25874 (2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-d...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C(=O)c2ccccc12 Show InChI InChI=1S/C25H26N4O2/c30-24-20-8-2-3-9-21(20)25(31)29(24)14-6-5-13-27-15-17-28(18-16-27)23-12-11-19-7-1-4-10-22(19)26-23/h1-4,7-12H,5-6,13-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM25875 (8-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-8-aza...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccc2ccccc2n1 Show InChI InChI=1S/C26H34N4O2/c31-24-19-26(11-3-4-12-26)20-25(32)30(24)14-6-5-13-28-15-17-29(18-16-28)23-10-9-21-7-1-2-8-22(21)27-23/h1-2,7-10H,3-6,11-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105210 (2-(4-Heptyl-piperazin-1-yl)-6-nitroquinoline (7)) Show SMILES CCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C20H28N4O2/c1-2-3-4-5-6-11-22-12-14-23(15-13-22)20-10-7-17-16-18(24(25)26)8-9-19(17)21-20/h7-10,16H,2-6,11-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	54.1	-41.5	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50306768 (2-amino-4-phenylbenzofuro[3,2-b]pyridine-3-carboni...) Show SMILES Nc1nc2c3ccccc3oc2c(-c2ccccc2)c1C#N Show InChI InChI=1S/C18H11N3O/c19-10-13-15(11-6-2-1-3-7-11)17-16(21-18(13)20)12-8-4-5-9-14(12)22-17/h1-9H,(H2,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human adenosine 2A receptor				J Med Chem 53: 1799-809 (2010) Article DOI: 10.1021/jm901647p BindingDB Entry DOI: 10.7270/Q20P1037
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563425 (CHEMBL4795646) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)S(F)(=O)=O Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA from human CCR2b expressed in human U2OS cell membranes incubated for 2 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50563425 (CHEMBL4795646) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)S(F)(=O)=O Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CCR2-RA from human CCR2b expressed in human U2OS cell membranes incubated for 2 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01137 BindingDB Entry DOI: 10.7270/Q20P13SF
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 5 (Homo sapiens (Human))	BDBM54115 (5-[4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro...) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)Nc1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C24H25N5O7S/c1-4-6-17-20-21(29(3)27-17)23(31)26-22(25-20)16-12-14(8-10-19(16)36-5-2)37(34,35)28-13-7-9-18(30)15(11-13)24(32)33/h7-12,28,30H,4-6H2,1-3H3,(H,32,33)(H,25,26,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Troms£ Curated by ChEMBL					Assay Description Inhibition of ABCC5 in human erythrocytes assessed as inhibition of ATP-mediated [3H]cGMP uptake in inside-out vesicles after 60 mins by liquid scint...				J Med Chem 55: 3049-57 (2012) Article DOI: 10.1021/jm2014666 BindingDB Entry DOI: 10.7270/Q2SX6F89
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105209 (2-(4-Hexyl-piperazin-1-yl)-6-nitroquinoline (6)) Show SMILES CCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C19H26N4O2/c1-2-3-4-5-10-21-11-13-22(14-12-21)19-9-6-16-15-17(23(24)25)7-8-18(16)20-19/h6-9,15H,2-5,10-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	72.9	-40.7	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 5 (Homo sapiens (Human))	BDBM50386476 (CHEMBL2047880) Show SMILES CCOc1ccc(cc1-c1nc2c(nn(C)c2c(=O)[nH]1)C(C)(C)C)S(=O)(=O)Nc1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C25H27N5O7S/c1-6-37-18-10-8-14(38(35,36)29-13-7-9-17(31)15(11-13)24(33)34)12-16(18)22-26-19-20(23(32)27-22)30(5)28-21(19)25(2,3)4/h7-12,29,31H,6H2,1-5H3,(H,33,34)(H,26,27,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Troms£ Curated by ChEMBL					Assay Description Inhibition of ABCC5 in human erythrocytes assessed as inhibition of ATP-mediated [3H]cGMP uptake in inside-out vesicles after 60 mins by liquid scint...				J Med Chem 55: 3049-57 (2012) Article DOI: 10.1021/jm2014666 BindingDB Entry DOI: 10.7270/Q2SX6F89
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105208 (2-(4-Pentyl-piperazin-1-yl)-6-nitroquinoline (5)) Show SMILES CCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C18H24N4O2/c1-2-3-4-9-20-10-12-21(13-11-20)18-8-5-15-14-16(22(23)24)6-7-17(15)19-18/h5-8,14H,2-4,9-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	80.5	-40.5	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105205 (2-(4-Ethyl-piperazin-1-yl)-6-nitroquinoline (2)) Show SMILES CCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C15H18N4O2/c1-2-17-7-9-18(10-8-17)15-6-3-12-11-13(19(20)21)4-5-14(12)16-15/h3-6,11H,2,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	86.1	-40.3	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50530315 (CHEMBL4520531) Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccc3ccccc3c2)cc1O Show InChI InChI=1S/C20H14N2O3S/c23-18-10-15(7-8-16(18)19(24)25)21-20-22-17(11-26-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,23H,(H,21,22)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human GST-tagged CK2alpha by Lineweaver-Burk plot analysis				J Med Chem 62: 1817-1836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01765 BindingDB Entry DOI: 10.7270/Q2SJ1Q27
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50530315 (CHEMBL4520531) Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccc3ccccc3c2)cc1O Show InChI InChI=1S/C20H14N2O3S/c23-18-10-15(7-8-16(18)19(24)25)21-20-22-17(11-26-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,23H,(H,21,22)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human GST-tagged CK2alpha by Lineweaver-Burk plot analysis				J Med Chem 62: 1817-1836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01765 BindingDB Entry DOI: 10.7270/Q2SJ1Q27
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50363810 (CHEMBL1945681) Show SMILES CC1CN(CCN1CCCCN1C(=O)CC(C)(C)CC1=O)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C25H33N5O4/c1-18-17-28(22-9-6-19-14-20(30(33)34)7-8-21(19)26-22)13-12-27(18)10-4-5-11-29-23(31)15-25(2,3)16-24(29)32/h6-9,14,18H,4-5,10-13,15-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50014407 (2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...) Show SMILES C1CN(CCN1)c1ccc2ccccc2n1 Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50306769 (1-amino-4-chloroanthracene-9,10-dione | CHEMBL6030...) Show SMILES Nc1ccc(Cl)c2C(=O)c3ccccc3C(=O)c12 Show InChI InChI=1S/C14H8ClNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human adenosine 2A receptor				J Med Chem 53: 1799-809 (2010) Article DOI: 10.1021/jm901647p BindingDB Entry DOI: 10.7270/Q20P1037
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM25872 (2-{3-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]pro...) Show SMILES CC1CN(CCN1CCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C25H26N4O2/c1-18-17-28(23-12-11-19-7-2-5-10-22(19)26-23)16-15-27(18)13-6-14-29-24(30)20-8-3-4-9-21(20)25(29)31/h2-5,7-12,18H,6,13-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50306776 (3-amino-N-(2-fluorophenyl)-5-oxo-5,6,7,8-tetrahydr...) Show SMILES Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc1ccccc1F Show InChI InChI=1S/C18H14FN3O2S/c19-11-4-1-2-5-13(11)21-17(24)16-15(20)10-8-9-12(22-18(10)25-16)6-3-7-14(9)23/h1-2,4-5,8H,3,6-7,20H2,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human adenosine 2A receptor				J Med Chem 53: 1799-809 (2010) Article DOI: 10.1021/jm901647p BindingDB Entry DOI: 10.7270/Q20P1037
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50094895 (1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...) Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12 Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human adenosine 2A receptor				J Med Chem 53: 1799-809 (2010) Article DOI: 10.1021/jm901647p BindingDB Entry DOI: 10.7270/Q20P1037
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105206 (2-(4-Propyl-piperazin-1-yl)-6-nitroquinoline (3)) Show SMILES CCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C16H20N4O2/c1-2-7-18-8-10-19(11-9-18)16-6-3-13-12-14(20(21)22)4-5-15(13)17-16/h3-6,12H,2,7-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	496	-36.0	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair

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