Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'shah' and Initial = 'jr'   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM35928 (3-(9,10-dihydroanthracen-9-yl)-N,N-dimethylpropan-...) Show SMILES CN(C)CCCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C19H23N/c1-20(2)13-7-12-19-17-10-5-3-8-15(17)14-16-9-4-6-11-18(16)19/h3-6,8-11,19H,7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35927 (3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-am...) Show SMILES CNCCCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C18H21N/c1-19-12-6-11-18-16-9-4-2-7-14(16)13-15-8-3-5-10-17(15)18/h2-5,7-10,18-19H,6,11-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35925 (9,10-dihydroanthracene(DHA), 2c) Show SMILES CN(C)CCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C18H21N/c1-19(2)12-11-18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)18/h3-10,18H,11-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35927 (3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-am...) Show SMILES CNCCCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C18H21N/c1-19-12-6-11-18-16-9-4-2-7-14(16)13-15-8-3-5-10-17(15)18/h2-5,7-10,18-19H,6,11-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	-44.7	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35920 (9,10-dihydroanthracene(DHA), 1a | 9-(Aminomethyl)-...) Show SMILES NCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C15H15N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	-43.6	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50310096 ((7,12-dihydro-3-methoxytetraphen-12-yl)methanamine...) Show SMILES COc1ccc2c3C(CN)c4ccccc4Cc3ccc2c1 Show InChI InChI=1S/C20H19NO/c1-22-16-8-9-18-14(11-16)6-7-15-10-13-4-2-3-5-17(13)19(12-21)20(15)18/h2-9,11,19H,10,12,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human cloned 5HT2A receptor				Bioorg Med Chem Lett 20: 935-8 (2010) Article DOI: 10.1016/j.bmcl.2009.12.064 BindingDB Entry DOI: 10.7270/Q2F47P8J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35928 (3-(9,10-dihydroanthracen-9-yl)-N,N-dimethylpropan-...) Show SMILES CN(C)CCCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C19H23N/c1-20(2)13-7-12-19-17-10-5-3-8-15(17)14-16-9-4-6-11-18(16)19/h3-6,8-11,19H,7,12-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	-43.4	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35922 ((9,10-Dihydro-anthracen-9-ylmethyl)-dimethyl-amine...) Show SMILES CN(C)CC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C17H19N/c1-18(2)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-10,17H,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	-43.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35926 (3-(9,10-Dihydro-anthracen-9-yl)-propylamine | 9,10...) Show SMILES NCCCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C17H19N/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12,18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	-42.5	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35924 (9,10-dihydroanthracene(DHA), 2b) Show SMILES CNCCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C17H19N/c1-18-11-10-17-15-8-4-2-6-13(15)12-14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	48	-41.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35921 ((9,10-Dihydro-anthracen-9-ylmethyl)-methyl-amine |...) Show SMILES CNCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C16H17N/c1-17-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	-41.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35933 (diphenylalkylamine (DPA), 5b) Show SMILES CNCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C16H19N/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	64	-41.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35937 (diphenylalkylamine (DPA), 6c) Show SMILES CN(C)CCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C18H23N/c1-19(2)15-9-14-18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,9,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	70	-40.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35934 (diphenylalkylamine (DPA), 5c) Show SMILES CN(C)CCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H21N/c1-18(2)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	75	-40.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35925 (9,10-dihydroanthracene(DHA), 2c) Show SMILES CN(C)CCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C18H21N/c1-19(2)12-11-18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)18/h3-10,18H,11-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	84	-40.1	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35924 (9,10-dihydroanthracene(DHA), 2b) Show SMILES CNCCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C17H19N/c1-18-11-10-17-15-8-4-2-6-13(15)12-14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	92	-39.9	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35923 (2-(9,10-Dihydro-anthracen-9-yl)-ethylamine | 9,10-...) Show SMILES NCCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C16H17N/c17-10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-8,16H,9-11,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	137	-39.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35926 (3-(9,10-Dihydro-anthracen-9-yl)-propylamine | 9,10...) Show SMILES NCCCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C17H19N/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	-38.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35921 ((9,10-Dihydro-anthracen-9-ylmethyl)-methyl-amine |...) Show SMILES CNCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C16H17N/c1-17-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	189	-38.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35920 (9,10-dihydroanthracene(DHA), 1a | 9-(Aminomethyl)-...) Show SMILES NCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C15H15N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	197	-38.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50310098 (CHEMBL609328 | N-((9,10-Dihydroanthracen-9-yl)meth...) Show SMILES C(CNCC1c2ccccc2Cc2ccccc12)Cc1ccccc1 Show InChI InChI=1S/C24H25N/c1-2-9-19(10-3-1)11-8-16-25-18-24-22-14-6-4-12-20(22)17-21-13-5-7-15-23(21)24/h1-7,9-10,12-15,24-25H,8,11,16-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human cloned 5HT2A receptor				Bioorg Med Chem Lett 20: 935-8 (2010) Article DOI: 10.1016/j.bmcl.2009.12.064 BindingDB Entry DOI: 10.7270/Q2F47P8J
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50310097 (CHEMBL590241 | N-((9,10-Dihydroanthracen-9-yl)meth...) Show SMILES C(Cc1ccccc1)NCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C23H23N/c1-2-8-18(9-3-1)14-15-24-17-23-21-12-6-4-10-19(21)16-20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	242	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]Pyrilamine from human cloned histamine H1 receptor				Bioorg Med Chem Lett 20: 935-8 (2010) Article DOI: 10.1016/j.bmcl.2009.12.064 BindingDB Entry DOI: 10.7270/Q2F47P8J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50310099 (CHEMBL597528 | N-((9,10-Dihydroanthracen-9-yl)meth...) Show SMILES C(CCc1ccccc1)CNCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C25H27N/c1-2-10-20(11-3-1)12-8-9-17-26-19-25-23-15-6-4-13-21(23)18-22-14-5-7-16-24(22)25/h1-7,10-11,13-16,25-26H,8-9,12,17-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	365	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human cloned 5HT2A receptor				Bioorg Med Chem Lett 20: 935-8 (2010) Article DOI: 10.1016/j.bmcl.2009.12.064 BindingDB Entry DOI: 10.7270/Q2F47P8J
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35936 (diphenylalkylamine (DPA), 6b) Show SMILES CNCCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H21N/c1-18-14-8-13-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17-18H,8,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	386	-36.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50310097 (CHEMBL590241 | N-((9,10-Dihydroanthracen-9-yl)meth...) Show SMILES C(Cc1ccccc1)NCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C23H23N/c1-2-8-18(9-3-1)14-15-24-17-23-21-12-6-4-10-19(21)16-20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human cloned 5HT2A receptor				Bioorg Med Chem Lett 20: 935-8 (2010) Article DOI: 10.1016/j.bmcl.2009.12.064 BindingDB Entry DOI: 10.7270/Q2F47P8J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35923 (2-(9,10-Dihydro-anthracen-9-yl)-ethylamine | 9,10-...) Show SMILES NCCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C16H17N/c17-10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-8,16H,9-11,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	480	-35.8	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35922 ((9,10-Dihydro-anthracen-9-ylmethyl)-dimethyl-amine...) Show SMILES CN(C)CC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C17H19N/c1-18(2)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-10,17H,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	-35.5	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097644 (9-(N-benzylaminomethyl)-9,10-dihydroanthracene | B...) Show SMILES C(NCc1ccccc1)C1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C22H21N/c1-2-8-17(9-3-1)15-23-16-22-20-12-6-4-10-18(20)14-19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	721	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human cloned 5HT2A receptor				Bioorg Med Chem Lett 20: 935-8 (2010) Article DOI: 10.1016/j.bmcl.2009.12.064 BindingDB Entry DOI: 10.7270/Q2F47P8J
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50310098 (CHEMBL609328 | N-((9,10-Dihydroanthracen-9-yl)meth...) Show SMILES C(CNCC1c2ccccc2Cc2ccccc12)Cc1ccccc1 Show InChI InChI=1S/C24H25N/c1-2-9-19(10-3-1)11-8-16-25-18-24-22-14-6-4-12-20(22)17-21-13-5-7-15-23(21)24/h1-7,9-10,12-15,24-25H,8,11,16-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	725	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]Pyrilamine from human cloned histamine H1 receptor				Bioorg Med Chem Lett 20: 935-8 (2010) Article DOI: 10.1016/j.bmcl.2009.12.064 BindingDB Entry DOI: 10.7270/Q2F47P8J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35936 (diphenylalkylamine (DPA), 6b) Show SMILES CNCCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H21N/c1-18-14-8-13-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17-18H,8,13-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	754	-34.7	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50310099 (CHEMBL597528 | N-((9,10-Dihydroanthracen-9-yl)meth...) Show SMILES C(CCc1ccccc1)CNCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C25H27N/c1-2-10-20(11-3-1)12-8-9-17-26-19-25-23-15-6-4-13-21(23)18-22-14-5-7-16-24(22)25/h1-7,10-11,13-16,25-26H,8-9,12,17-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	964	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]Pyrilamine from human cloned histamine H1 receptor				Bioorg Med Chem Lett 20: 935-8 (2010) Article DOI: 10.1016/j.bmcl.2009.12.064 BindingDB Entry DOI: 10.7270/Q2F47P8J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35937 (diphenylalkylamine (DPA), 6c) Show SMILES CN(C)CCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C18H23N/c1-19(2)15-9-14-18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,9,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.15E+3	-33.7	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35933 (diphenylalkylamine (DPA), 5b) Show SMILES CNCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C16H19N/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	-33.0	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35934 (diphenylalkylamine (DPA), 5c) Show SMILES CN(C)CCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H21N/c1-18(2)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.64E+3	-32.8	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35935 (diphenylalkylamine (DPA), 6a) Show SMILES NCCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C16H19N/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.67E+3	-33.0	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35935 (diphenylalkylamine (DPA), 6a) Show SMILES NCCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C16H19N/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.59E+3	-31.7	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50310096 ((7,12-dihydro-3-methoxytetraphen-12-yl)methanamine...) Show SMILES COc1ccc2c3C(CN)c4ccccc4Cc3ccc2c1 Show InChI InChI=1S/C20H19NO/c1-22-16-8-9-18-14(11-16)6-7-15-10-13-4-2-3-5-17(13)19(12-21)20(15)18/h2-9,11,19H,10,12,21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]Pyrilamine from human cloned histamine H1 receptor				Bioorg Med Chem Lett 20: 935-8 (2010) Article DOI: 10.1016/j.bmcl.2009.12.064 BindingDB Entry DOI: 10.7270/Q2F47P8J
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35932 (diphenylalkylamine (DPA), 5a) Show SMILES NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C15H17N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	2.76E+3	-31.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35929 (2,2-Diphenyl-ethylamine | 2,2-diphenylethanamine |...) Show SMILES NCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.61E+3	-30.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35931 (2,2-diphenylethyl(dimethyl)amine;hydrochloride | d...) Show SMILES CN(C)CC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C16H19N/c1-17(2)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	5.17E+3	-30.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35931 (2,2-diphenylethyl(dimethyl)amine;hydrochloride | d...) Show SMILES CN(C)CC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C16H19N/c1-17(2)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	7.36E+3	-29.1	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35930 (diphenylalkylamine (DPA), 4b) Show SMILES CNCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C15H17N/c1-16-12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35932 (diphenylalkylamine (DPA), 5a) Show SMILES NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C15H17N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-28.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35930 (diphenylalkylamine (DPA), 4b) Show SMILES CNCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C15H17N/c1-16-12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-28.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35929 (2,2-Diphenyl-ethylamine | 2,2-diphenylethanamine |...) Show SMILES NCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27497 (2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridi...) Show SMILES CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 Show InChI InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP1 using TACS-Sapphire substrate for 30 mins by colorimetry				Eur J Med Chem 50: 264-73 (2012) Article DOI: 10.1016/j.ejmech.2012.02.001 BindingDB Entry DOI: 10.7270/Q2FT8MGP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50365156 (CHEMBL1949866) Show SMILES Cc1nc2c(N)cccc2c(=O)[nH]1 Show InChI InChI=1S/C9H9N3O/c1-5-11-8-6(9(13)12-5)3-2-4-7(8)10/h2-4H,10H2,1H3,(H,11,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP1 using TACS-Sapphire substrate for 30 mins by colorimetry				Eur J Med Chem 50: 264-73 (2012) Article DOI: 10.1016/j.ejmech.2012.02.001 BindingDB Entry DOI: 10.7270/Q2FT8MGP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50068761 (2,8-Dimethyl-3H-quinazolin-4-one | CHEMBL151549) Show SMILES Cc1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C10H10N2O/c1-6-4-3-5-8-9(6)11-7(2)12-10(8)13/h3-5H,1-2H3,(H,11,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP1 using TACS-Sapphire substrate for 30 mins by colorimetry				Eur J Med Chem 50: 264-73 (2012) Article DOI: 10.1016/j.ejmech.2012.02.001 BindingDB Entry DOI: 10.7270/Q2FT8MGP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50365150 (CHEMBL1949858) Show SMILES Nc1cccc2c1nc[nH]c2=O Show InChI InChI=1S/C8H7N3O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4H,9H2,(H,10,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP1 using TACS-Sapphire substrate for 30 mins by colorimetry				Eur J Med Chem 50: 264-73 (2012) Article DOI: 10.1016/j.ejmech.2012.02.001 BindingDB Entry DOI: 10.7270/Q2FT8MGP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27712 (5-chloro-2-methyl-3,4-dihydroquinazolin-4-one | CH...) Show SMILES Cc1nc2cccc(Cl)c2c(=O)[nH]1 Show InChI InChI=1S/C9H7ClN2O/c1-5-11-7-4-2-3-6(10)8(7)9(13)12-5/h2-4H,1H3,(H,11,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP1 using TACS-Sapphire substrate for 30 mins by colorimetry				Eur J Med Chem 50: 264-73 (2012) Article DOI: 10.1016/j.ejmech.2012.02.001 BindingDB Entry DOI: 10.7270/Q2FT8MGP
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 74 total )  |  Next  |  Last  >>

Jump to: