Compile Data Set for Download or QSAR

Found 2260 hits with Last Name = 'shen' and Initial = 'z'   

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
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
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
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
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US11111235, N...) Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F Show InChI InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448127 (CHEMBL3122119 | US9212173, 44) Show SMILES CCNc1nc(Nc2cc(nn2C)C(C)(C)C#N)ncc1C(F)(F)F Show InChI InChI=1S/C15H18F3N7/c1-5-20-12-9(15(16,17)18)7-21-13(23-12)22-11-6-10(24-25(11)4)14(2,3)8-19/h6-7H,5H2,1-4H3,(H2,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					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
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
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448126 (CHEMBL3122105 | US9212186, 22) Show SMILES CNc1nc(Nc2cnn3CC(C)(C)OCc23)ncc1C(F)(F)F Show InChI InChI=1S/C14H17F3N6O/c1-13(2)7-23-10(6-24-13)9(5-20-23)21-12-19-4-8(14(15,16)17)11(18-3)22-12/h4-5H,6-7H2,1-3H3,(H2,18,19,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398667 (CHEMBL2178135) Show SMILES COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F Show InChI InChI=1S/C20H21F4N5O3/c1-31-16-8-12(18(30)29-4-6-32-7-5-29)14(21)9-15(16)27-19-25-10-13(20(22,23)24)17(28-19)26-11-2-3-11/h8-11H,2-7H2,1H3,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448117 (CHEMBL3122114) Show SMILES CNc1nc(Nc2cnn(c2C)C(C)(C)C#N)ncc1C(F)(F)F Show InChI InChI=1S/C14H16F3N7/c1-8-10(6-21-24(8)13(2,3)7-18)22-12-20-5-9(14(15,16)17)11(19-4)23-12/h5-6H,1-4H3,(H2,19,20,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398668 (CHEMBL2178134 | US8802674, 256) Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398662 (CHEMBL2178140) Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)NCC(C)(C)O)ncc1C(F)(F)F Show InChI InChI=1S/C19H23F4N5O3/c1-5-24-15-11(19(21,22)23)8-25-17(28-15)27-13-7-12(20)10(6-14(13)31-4)16(29)26-9-18(2,3)30/h6-8,30H,5,9H2,1-4H3,(H,26,29)(H2,24,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398676 (CHEMBL2178125) Show SMILES CNc1nc(Nc2cc(OC)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C19H22F3N5O4/c1-23-16-12(19(20,21)22)10-24-18(26-16)25-13-9-14(29-2)11(8-15(13)30-3)17(28)27-4-6-31-7-5-27/h8-10H,4-7H2,1-3H3,(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					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
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
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448115 (CHEMBL3122118) Show SMILES CNc1nc(Nc2cnn(c2Cl)C2(CC2)C#N)ncc1C(F)(F)F Show InChI InChI=1S/C13H11ClF3N7/c1-19-10-7(13(15,16)17)4-20-11(23-10)22-8-5-21-24(9(8)14)12(6-18)2-3-12/h4-5H,2-3H2,1H3,(H2,19,20,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448114 (CHEMBL3122120) Show SMILES CNc1nc(Nc2cnn(C3COC3)c2C)ncc1C(F)(F)F Show InChI InChI=1S/C13H15F3N6O/c1-7-10(4-19-22(7)8-5-23-6-8)20-12-18-3-9(13(14,15)16)11(17-2)21-12/h3-4,8H,5-6H2,1-2H3,(H2,17,18,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448113 (CHEMBL3122121) Show SMILES CNc1nc(Nc2cnn(C3CCOCC3)c2C)ncc1C(F)(F)F Show InChI InChI=1S/C15H19F3N6O/c1-9-12(8-21-24(9)10-3-5-25-6-4-10)22-14-20-7-11(15(16,17)18)13(19-2)23-14/h7-8,10H,3-6H2,1-2H3,(H2,19,20,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448111 (CHEMBL3122116) Show SMILES CNc1nc(Nc2cn(nc2C)[C@H]2CCN(C[C@H]2F)C2COC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H23F4N7O/c1-10-14(25-17-24-5-12(18(20,21)22)16(23-2)26-17)7-29(27-10)15-3-4-28(6-13(15)19)11-8-30-9-11/h5,7,11,13,15H,3-4,6,8-9H2,1-2H3,(H2,23,24,25,26)/t13-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448110 (CHEMBL3122117) Show SMILES CNc1nc(Nc2cnn([C@H]3CCN(C[C@@H]3F)C3COC3)c2Cl)ncc1C(F)(F)F |r| Show InChI InChI=1S/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)/t11-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50396150 (CHEMBL2171743) Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Br Show InChI InChI=1S/C17H20BrN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50396148 (CHEMBL2171745 | US8802674, 50) Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C18H20F3N5O3/c1-22-15-12(18(19,20)21)10-23-17(25-15)24-13-4-3-11(9-14(13)28-2)16(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398677 (CHEMBL2178124 | US8802674, 292) Show SMILES CNc1nc(Nc2cc(Cl)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C18H19ClF3N5O3/c1-23-15-11(18(20,21)22)9-24-17(26-15)25-13-8-12(19)10(7-14(13)29-2)16(28)27-3-5-30-6-4-27/h7-9H,3-6H2,1-2H3,(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398672 (CHEMBL2178130) Show SMILES CNc1nc(Nc2cc(C)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C19H22F3N5O3/c1-11-8-14(25-18-24-10-13(19(20,21)22)16(23-2)26-18)15(29-3)9-12(11)17(28)27-4-6-30-7-5-27/h8-10H,4-7H2,1-3H3,(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398665 (CHEMBL2178137 | US9145402, 15) Show SMILES CNc1nc(Nc2cc(F)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F Show InChI InChI=1S/C14H14F4N4O3S/c1-19-12-7(14(16,17)18)6-20-13(22-12)21-9-4-8(15)11(26(3,23)24)5-10(9)25-2/h4-6H,1-3H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					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 1A (Homo sapiens (Human))	BDBM50305105 ((+/-)-8-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)am...) Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CNC(=O)c3c2C1 Show InChI InChI=1S/C24H26FN3O2/c1-2-28(9-3-4-15-12-26-21-7-6-17(25)10-19(15)21)18-11-20-22(30-14-18)8-5-16-13-27-24(29)23(16)20/h5-8,10,12,18,26H,2-4,9,11,13-14H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]OH-DPAP from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 222-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.134 BindingDB Entry DOI: 10.7270/Q26Q1XC6
					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
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448116 (CHEMBL3122115) Show SMILES CNc1nc(Nc2cn(nc2C)C2(CC2)C#N)ncc1C(F)(F)F Show InChI InChI=1S/C14H14F3N7/c1-8-10(6-24(23-8)13(7-18)3-4-13)21-12-20-5-9(14(15,16)17)11(19-2)22-12/h5-6H,3-4H2,1-2H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM482160 (BDBM50396041 | HG-10-102-01) Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398674 (CHEMBL2178127 | US8802674, 147) Show SMILES CCNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C19H21ClF3N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-15(30-2)11(8-13(14)20)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398664 (CHEMBL2178138) Show SMILES CCNc1nc(Nc2cnc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C18H21F3N6O3/c1-3-22-15-11(18(19,20)21)9-24-17(26-15)25-13-10-23-12(8-14(13)29-2)16(28)27-4-6-30-7-5-27/h8-10H,3-7H2,1-2H3,(H2,22,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448125 (CHEMBL3122106 | US9212186, 17) Show SMILES CNc1nc(Nc2cnn3CCOCc23)ncc1C(F)(F)F Show InChI InChI=1S/C12H13F3N6O/c1-16-10-7(12(13,14)15)4-17-11(20-10)19-8-5-18-21-2-3-22-6-9(8)21/h4-5H,2-3,6H2,1H3,(H2,16,17,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448123 (CHEMBL3122108 | US9212186, 16) Show SMILES CNc1nc(Nc2cnn3CCOC(C)c23)ncc1C(F)(F)F Show InChI InChI=1S/C13H15F3N6O/c1-7-10-9(6-19-22(10)3-4-23-7)20-12-18-5-8(13(14,15)16)11(17-2)21-12/h5-7H,3-4H2,1-2H3,(H2,17,18,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					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 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
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398661 (CHEMBL2178141 | US8796296, 24) Show SMILES CCNc1nc(Nc2cc3CN(CC(C)(C)O)C(=O)c3cc2OC)ncc1C(F)(F)F Show InChI InChI=1S/C20H24F3N5O3/c1-5-24-16-13(20(21,22)23)8-25-18(27-16)26-14-6-11-9-28(10-19(2,3)30)17(29)12(11)7-15(14)31-4/h6-8,30H,5,9-10H2,1-4H3,(H2,24,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50305110 ((+)-3-(4-((cyclopropylmethyl)(1-oxo-1,2,3,7,8,9-he...) Show SMILES O=C1NCc2ccc3OCC(Cc3c12)N(CCCCc1c[nH]c2ccc(cc12)C#N)CC1CC1 Show InChI InChI=1S/C28H30N4O2/c29-13-19-6-8-25-23(11-19)20(14-30-25)3-1-2-10-32(16-18-4-5-18)22-12-24-26(34-17-22)9-7-21-15-31-28(33)27(21)24/h6-9,11,14,18,22,30H,1-5,10,12,15-17H2,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]OH-DPAP from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 222-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.134 BindingDB Entry DOI: 10.7270/Q26Q1XC6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50305110 ((+)-3-(4-((cyclopropylmethyl)(1-oxo-1,2,3,7,8,9-he...) Show SMILES O=C1NCc2ccc3OCC(Cc3c12)N(CCCCc1c[nH]c2ccc(cc12)C#N)CC1CC1 Show InChI InChI=1S/C28H30N4O2/c29-13-19-6-8-25-23(11-19)20(14-30-25)3-1-2-10-32(16-18-4-5-18)22-12-24-26(34-17-22)9-7-21-15-31-28(33)27(21)24/h6-9,11,14,18,22,30H,1-5,10,12,15-17H2,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]OH-DPAP from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 222-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.134 BindingDB Entry DOI: 10.7270/Q26Q1XC6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50305091 ((+/-)-9-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)am...) Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)cc3CCNC(=O)c3c2C1 Show InChI InChI=1S/C25H27F2N3O2/c1-2-30(9-3-4-16-13-29-22-6-5-17(26)11-19(16)22)18-12-20-23-15(7-8-28-25(23)31)10-21(27)24(20)32-14-18/h5-6,10-11,13,18,29H,2-4,7-9,12,14H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]OH-DPAP from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 222-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.134 BindingDB Entry DOI: 10.7270/Q26Q1XC6
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448112 (CHEMBL3122122) Show SMILES CNc1nc(Nc2cnn(C3CCN(CC3)C3COC3)c2C)ncc1C(F)(F)F Show InChI InChI=1S/C18H24F3N7O/c1-11-15(25-17-23-7-14(18(19,20)21)16(22-2)26-17)8-24-28(11)12-3-5-27(6-4-12)13-9-29-10-13/h7-8,12-13H,3-6,9-10H2,1-2H3,(H2,22,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398675 (CHEMBL2178126 | US8802674, 296) Show SMILES CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C18H19ClF3N5O3/c1-23-15-11(18(20,21)22)9-24-17(26-15)25-13-8-14(29-2)10(7-12(13)19)16(28)27-3-5-30-6-4-27/h7-9H,3-6H2,1-2H3,(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398659 (CHEMBL2178123) Show SMILES COc1cc(ccc1Nc1ncc(Br)c(OC)n1)C(=O)N1CCOCC1 Show InChI InChI=1S/C17H19BrN4O4/c1-24-14-9-11(16(23)22-5-7-26-8-6-22)3-4-13(14)20-17-19-10-12(18)15(21-17)25-2/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50305106 ((+)-8-((cyclopropylmethyl)(3-(5-fluoro-1H-indol-3-...) Show SMILES Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1 Show InChI InChI=1S/C26H28FN3O2/c27-19-6-7-23-21(10-19)17(12-28-23)2-1-9-30(14-16-3-4-16)20-11-22-24(32-15-20)8-5-18-13-29-26(31)25(18)22/h5-8,10,12,16,20,28H,1-4,9,11,13-15H2,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]OH-DPAP from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 222-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.134 BindingDB Entry DOI: 10.7270/Q26Q1XC6
					More data for this Ligand-Target Pair

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