Compile Data Set for Download or QSAR

Found 1075 hits with Last Name = 'hong' and Initial = 'd'   

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	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A2A receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581950 (CHEMBL4204703) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r,wU:4.7,wD:1.0,(5.09,-4.45,;6.42,-5.22,;6.43,-6.76,;7.77,-7.53,;9.09,-6.74,;9.09,-5.21,;7.76,-4.45,;10.43,-7.5,;10.44,-9.04,;9.12,-9.82,;9.13,-11.35,;10.47,-12.12,;11.8,-11.34,;13.26,-11.81,;14.16,-10.57,;13.25,-9.33,;11.79,-9.81,;7.8,-12.13,;6.47,-11.36,;5.14,-12.13,;5.14,-13.68,;6.47,-14.45,;7.81,-13.68,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316677 (6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H31N5O/c1-34-24-19-22-7-4-12-30-28(22)26(20-24)33-17-15-31(16-18-33)23-9-13-32(14-10-23)25-8-2-5-21-6-3-11-29-27(21)25/h2-8,11-12,19-20,23H,9-10,13-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316673 (5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30FN5O/c1-35-22-18-20-4-2-10-30-27(20)26(19-22)34-16-14-32(15-17-34)21-8-12-33(13-9-21)25-7-6-24(29)23-5-3-11-31-28(23)25/h2-7,10-11,18-19,21H,8-9,12-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316680 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(C)cnc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-17-22-5-3-7-26(28(22)31-20-21)33-11-8-24(9-12-33)32-13-15-34(16-14-32)27-19-25(35-2)18-23-6-4-10-30-29(23)27/h3-7,10,17-20,24H,8-9,11-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316684 (3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piper...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(F)cnc23)c2ncccc2c1 Show InChI InChI=1S/C28H29F2N5O/c1-36-22-15-19-3-2-8-31-27(19)26(17-22)35-13-11-33(12-14-35)21-6-9-34(10-7-21)25-5-4-24(30)23-16-20(29)18-32-28(23)25/h2-5,8,15-18,21H,6-7,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581955 (CHEMBL5073669) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581950 (CHEMBL4204703) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r,wU:4.7,wD:1.0,(5.09,-4.45,;6.42,-5.22,;6.43,-6.76,;7.77,-7.53,;9.09,-6.74,;9.09,-5.21,;7.76,-4.45,;10.43,-7.5,;10.44,-9.04,;9.12,-9.82,;9.13,-11.35,;10.47,-12.12,;11.8,-11.34,;13.26,-11.81,;14.16,-10.57,;13.25,-9.33,;11.79,-9.81,;7.8,-12.13,;6.47,-11.36,;5.14,-12.13,;5.14,-13.68,;6.47,-14.45,;7.81,-13.68,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316688 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3ccc(C)nc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-8-9-22-5-3-7-26(29(22)31-21)33-13-10-24(11-14-33)32-15-17-34(18-16-32)27-20-25(35-2)19-23-6-4-12-30-28(23)27/h3-9,12,19-20,24H,10-11,13-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581950 (CHEMBL4204703) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r,wU:4.7,wD:1.0,(5.09,-4.45,;6.42,-5.22,;6.43,-6.76,;7.77,-7.53,;9.09,-6.74,;9.09,-5.21,;7.76,-4.45,;10.43,-7.5,;10.44,-9.04,;9.12,-9.82,;9.13,-11.35,;10.47,-12.12,;11.8,-11.34,;13.26,-11.81,;14.16,-10.57,;13.25,-9.33,;11.79,-9.81,;7.8,-12.13,;6.47,-11.36,;5.14,-12.13,;5.14,-13.68,;6.47,-14.45,;7.81,-13.68,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581950 (CHEMBL4204703) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r,wU:4.7,wD:1.0,(5.09,-4.45,;6.42,-5.22,;6.43,-6.76,;7.77,-7.53,;9.09,-6.74,;9.09,-5.21,;7.76,-4.45,;10.43,-7.5,;10.44,-9.04,;9.12,-9.82,;9.13,-11.35,;10.47,-12.12,;11.8,-11.34,;13.26,-11.81,;14.16,-10.57,;13.25,-9.33,;11.79,-9.81,;7.8,-12.13,;6.47,-11.36,;5.14,-12.13,;5.14,-13.68,;6.47,-14.45,;7.81,-13.68,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50366779 (METHYLLYCACONITINE) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against alpha7 nAChR (nicotinic acetylcholine receptor) using [3H]-MLA as a radioligand relative to alpha4-beta2				J Med Chem 43: 142-5 (2000) Article DOI: 10.1021/jm990544f BindingDB Entry DOI: 10.7270/Q2G163KF
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581957 (CHEMBL5080823) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581964 (CHEMBL5092788) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCC#C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316690 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)ccnc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-8-12-31-29-25(21)6-3-7-26(29)33-13-9-23(10-14-33)32-15-17-34(18-16-32)27-20-24(35-2)19-22-5-4-11-30-28(22)27/h3-8,11-12,19-20,23H,9-10,13-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316682 (6-Bromo-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cc(Br)cc3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30BrN5O/c1-35-24-17-21-5-3-9-31-28(21)26(19-24)34-14-12-32(13-15-34)23-6-10-33(11-7-23)25-18-22(29)16-20-4-2-8-30-27(20)25/h2-5,8-9,16-19,23H,6-7,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316678 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)cc(C)nc23)c2ncccc2c1 Show InChI InChI=1S/C30H35N5O/c1-21-18-22(2)32-30-26(21)7-4-8-27(30)34-12-9-24(10-13-34)33-14-16-35(17-15-33)28-20-25(36-3)19-23-6-5-11-31-29(23)28/h4-8,11,18-20,24H,9-10,12-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316679 (3-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(F)cnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30FN5O/c1-35-24-17-21-5-3-9-30-28(21)26(18-24)34-14-12-32(13-15-34)23-7-10-33(11-8-23)25-6-2-4-20-16-22(29)19-31-27(20)25/h2-6,9,16-19,23H,7-8,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50366779 (METHYLLYCACONITINE) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-7 nAChR (nicotinic acetylcholine receptor) using [125I]-alpha-BGT as a radioligand relative to alpha4-beta2				J Med Chem 43: 142-5 (2000) Article DOI: 10.1021/jm990544f BindingDB Entry DOI: 10.7270/Q2G163KF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316683 (5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(cnc23)C(F)(F)F)c2ncccc2c1 Show InChI InChI=1S/C29H29F4N5O/c1-39-22-15-19-3-2-8-34-27(19)26(17-22)38-13-11-36(12-14-38)21-6-9-37(10-7-21)25-5-4-24(30)23-16-20(29(31,32)33)18-35-28(23)25/h2-5,8,15-18,21H,6-7,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM86708 (CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50472784 (METHYLLYCACONITINE[3H] MLA | [3H]-MLA) Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2c([3H])cccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@@]13[H])OC |r,TLB:27:21:10.3.5:51,18:21:25.26.24:47.51.48,19:18:10.3.5:51,3:23:18.16:27.47.48,THB:24:23:18.16:27.47.48,8:7:3.2:10.13.12| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1/i10T	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]MLA binding in presence of methylcaconitine.				J Med Chem 43: 142-5 (2000) Article DOI: 10.1021/jm990544f BindingDB Entry DOI: 10.7270/Q2G163KF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316686 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(cnc23)C(F)(F)F)c2ncccc2c1 Show InChI InChI=1S/C29H30F3N5O/c1-38-24-17-21-5-3-9-33-28(21)26(18-24)37-14-12-35(13-15-37)23-7-10-36(11-8-23)25-6-2-4-20-16-22(29(30,31)32)19-34-27(20)25/h2-6,9,16-19,23H,7-8,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268232 (8-(4-(4-(4-Chlorophenyl)piperazine-1-sulfonyl)phen...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A2B receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50472783 (CHEMBL2112068) Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2cc(I)ccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@@]13[H])OC |r,TLB:27:21:10.3.5:51,18:21:25.26.24:47.51.48,19:18:10.3.5:51,3:23:18.16:27.47.48,THB:24:23:18.16:27.47.48,8:7:3.2:10.13.12| Show InChI InChI=1S/C37H49IN2O10/c1-7-39-16-34(17-50-32(43)20-13-19(38)8-9-23(20)40-26(41)12-18(2)31(40)42)11-10-25(47-4)36-22-14-21-24(46-3)15-35(44,27(22)28(21)48-5)37(45,33(36)39)30(49-6)29(34)36/h8-9,13,18,21-22,24-25,27-30,33,44-45H,7,10-12,14-17H2,1-6H3/t18-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-7 nAChR (nicotinic acetylcholine receptor) using [125I]-alpha-BGT as a radioligand relative to alpha4-beta2				J Med Chem 43: 142-5 (2000) Article DOI: 10.1021/jm990544f BindingDB Entry DOI: 10.7270/Q2G163KF
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581960 (CHEMBL5074992) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCOCCOCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581964 (CHEMBL5092788) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCC#C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581964 (CHEMBL5092788) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCC#C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50472783 (CHEMBL2112068) Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2cc(I)ccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@@]13[H])OC |r,TLB:27:21:10.3.5:51,18:21:25.26.24:47.51.48,19:18:10.3.5:51,3:23:18.16:27.47.48,THB:24:23:18.16:27.47.48,8:7:3.2:10.13.12| Show InChI InChI=1S/C37H49IN2O10/c1-7-39-16-34(17-50-32(43)20-13-19(38)8-9-23(20)40-26(41)12-18(2)31(40)42)11-10-25(47-4)36-22-14-21-24(46-3)15-35(44,27(22)28(21)48-5)37(45,33(36)39)30(49-6)29(34)36/h8-9,13,18,21-22,24-25,27-30,33,44-45H,7,10-12,14-17H2,1-6H3/t18-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against alpha7 nAChR (nicotinic acetylcholine receptor) using [3H]-MLA as a radioligand relative to alpha4-beta2				J Med Chem 43: 142-5 (2000) Article DOI: 10.1021/jm990544f BindingDB Entry DOI: 10.7270/Q2G163KF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316685 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3ccc(nc23)C(F)(F)F)c2ncccc2c1 Show InChI InChI=1S/C29H30F3N5O/c1-38-23-18-21-5-3-11-33-27(21)25(19-23)37-16-14-35(15-17-37)22-9-12-36(13-10-22)24-6-2-4-20-7-8-26(29(30,31)32)34-28(20)24/h2-8,11,18-19,22H,9-10,12-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50472784 (METHYLLYCACONITINE[3H] MLA | [3H]-MLA) Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2c([3H])cccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@@]13[H])OC |r,TLB:27:21:10.3.5:51,18:21:25.26.24:47.51.48,19:18:10.3.5:51,3:23:18.16:27.47.48,THB:24:23:18.16:27.47.48,8:7:3.2:10.13.12| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1/i10T	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]MLA binding in presence of alpha-bungarotoxin				J Med Chem 43: 142-5 (2000) Article DOI: 10.1021/jm990544f BindingDB Entry DOI: 10.7270/Q2G163KF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50001942 (CHEMBL2113668 | Iodo-MLA) Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2cc([125I])ccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@@]13[H])OC |r,TLB:27:21:10.3.5:51,19:18:10.3.5:51,18:21:25.26.24:47.51.48,3:23:18.16:27.47.48,THB:24:23:18.16:27.47.48,8:7:3.2:10.13.12| Show InChI InChI=1S/C37H49IN2O10/c1-7-39-16-34(17-50-32(43)20-13-19(38)8-9-23(20)40-26(41)12-18(2)31(40)42)11-10-25(47-4)36-22-14-21-24(46-3)15-35(44,27(22)28(21)48-5)37(45,33(36)39)30(49-6)29(34)36/h8-9,13,18,21-22,24-25,27-30,33,44-45H,7,10-12,14-17H2,1-6H3/t18-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1/i38-2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [125I]iodo-MLA binding in presence of alpha-bungarotoxin				J Med Chem 43: 142-5 (2000) Article DOI: 10.1021/jm990544f BindingDB Entry DOI: 10.7270/Q2G163KF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316681 (5-Fluoro-4-methoxy-8-{4-[4-(6-methoxyquinolin-8-yl...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3c(OC)cc(nc23)C(F)(F)F)c2ncccc2c1 Show InChI InChI=1S/C30H31F4N5O2/c1-40-21-16-19-4-3-9-35-28(19)24(17-21)39-14-12-37(13-15-39)20-7-10-38(11-8-20)23-6-5-22(31)27-25(41-2)18-26(30(32,33)34)36-29(23)27/h3-6,9,16-18,20H,7-8,10-15H2,1-2H3	PDB UniProtKB/SwissProt 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to 5HT2C receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316687 (4-Methoxy-8-{4-[4-(6-methoxyquinolin-8-yl)piperazi...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(OC)cc(nc23)C(F)(F)F)c2ncccc2c1 Show InChI InChI=1S/C30H32F3N5O2/c1-39-22-17-20-5-4-10-34-28(20)25(18-22)38-15-13-36(14-16-38)21-8-11-37(12-9-21)24-7-3-6-23-26(40-2)19-27(30(31,32)33)35-29(23)24/h3-7,10,17-19,21H,8-9,11-16H2,1-2H3	PDB UniProtKB/SwissProt 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581961 (CHEMBL5088372) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCOCCOCCOCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581959 (CHEMBL5076192) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCCCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21342 ((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581957 (CHEMBL5080823) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50581959 (CHEMBL5076192) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCCCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A3 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21342 ((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50001942 (CHEMBL2113668 | Iodo-MLA) Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2cc([125I])ccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@@]13[H])OC |r,TLB:27:21:10.3.5:51,19:18:10.3.5:51,18:21:25.26.24:47.51.48,3:23:18.16:27.47.48,THB:24:23:18.16:27.47.48,8:7:3.2:10.13.12| Show InChI InChI=1S/C37H49IN2O10/c1-7-39-16-34(17-50-32(43)20-13-19(38)8-9-23(20)40-26(41)12-18(2)31(40)42)11-10-25(47-4)36-22-14-21-24(46-3)15-35(44,27(22)28(21)48-5)37(45,33(36)39)30(49-6)29(34)36/h8-9,13,18,21-22,24-25,27-30,33,44-45H,7,10-12,14-17H2,1-6H3/t18-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1/i38-2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [125I]iodo-MLA binding in presence of methylcaconitine.				J Med Chem 43: 142-5 (2000) Article DOI: 10.1021/jm990544f BindingDB Entry DOI: 10.7270/Q2G163KF
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581961 (CHEMBL5088372) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCOCCOCCOCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581954 (CHEMBL5087305) Show SMILES CCCCn1c(=O)n(CCC)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316675 (6-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cc(F)cc3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30FN5O/c1-35-24-17-21-5-3-9-31-28(21)26(19-24)34-14-12-32(13-15-34)23-6-10-33(11-7-23)25-18-22(29)16-20-4-2-8-30-27(20)25/h2-5,8-9,16-19,23H,6-7,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21342 ((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581960 (CHEMBL5074992) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCOCCOCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581957 (CHEMBL5080823) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581957 (CHEMBL5080823) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316676 (5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3ccc(nc23)C(F)(F)F)c2ncccc2c1 Show InChI InChI=1S/C29H29F4N5O/c1-39-21-17-19-3-2-10-34-27(19)25(18-21)38-15-13-36(14-16-38)20-8-11-37(12-9-20)24-6-5-23(30)22-4-7-26(29(31,32)33)35-28(22)24/h2-7,10,17-18,20H,8-9,11-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair

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