Compile Data Set for Download or QSAR

Found 2508 hits with Last Name = 'fletcher' and Initial = 's'   

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
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497553 (CHEMBL3359696) Show SMILES ONC(=O)C(NC(=O)c1ccccc1F)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-15-5-2-1-4-14(15)17(24)21-16(18(25)22-26)12-6-8-13(9-7-12)23-11-3-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50162774 (ABT-199 | US11420968, Example ABT-199 | Venetoclax) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by TR-FRET assay				J Med Chem 60: 821-838 (2017) Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497551 (CHEMBL3359700) Show SMILES Nc1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H17N5O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497552 (CHEMBL3359698) Show SMILES ONC(=O)C(NC(=O)c1ccc(F)cc1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497556 (CHEMBL3359699) Show SMILES Nc1cccc(c1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H17N5O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497548 (CHEMBL3359691) Show SMILES CCC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C14H16N4O3/c1-2-12(19)16-13(14(20)17-21)10-4-6-11(7-5-10)18-9-3-8-15-18/h3-9,13,21H,2H2,1H3,(H,16,19)(H,17,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497549 (CHEMBL3359690) Show SMILES CC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C13H14N4O3/c1-9(18)15-12(13(19)16-20)10-3-5-11(6-4-10)17-8-2-7-14-17/h2-8,12,20H,1H3,(H,15,18)(H,16,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497543 (CHEMBL3359693) Show SMILES CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O3/c1-16(2,3)15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.0280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497544 (CHEMBL3359688) Show SMILES CC(C)(C)OC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O4/c1-16(2,3)24-15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497545 (CHEMBL3359697) Show SMILES ONC(=O)C(NC(=O)c1cccc(F)c1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497547 (CHEMBL3359694) Show SMILES CC(C)(C)NC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H21N5O3/c1-16(2,3)19-15(23)18-13(14(22)20-24)11-5-7-12(8-6-11)21-10-4-9-17-21/h4-10,13,24H,1-3H3,(H,20,22)(H2,18,19,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497557 (CHEMBL3359692) Show SMILES CC(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C15H18N4O3/c1-10(2)14(20)17-13(15(21)18-22)11-4-6-12(7-5-11)19-9-3-8-16-19/h3-10,13,22H,1-2H3,(H,17,20)(H,18,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50099273 (6-Fluoro-3-(4-fluoro-piperidin-3-yl)-2-phenyl-1H-i...) Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccccc1 Show InChI InChI=1S/C19H18F2N2/c20-13-6-7-14-17(10-13)23-19(12-4-2-1-3-5-12)18(14)15-11-22-9-8-16(15)21/h1-7,10,15-16,22-23H,8-9,11H2/t15?,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50095027 ((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...) Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497546 (CHEMBL3359695) Show SMILES ONC(=O)C(NC(=O)c1ccccc1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H16N4O3/c23-17(14-5-2-1-3-6-14)20-16(18(24)21-25)13-7-9-15(10-8-13)22-12-4-11-19-22/h1-12,16,25H,(H,20,23)(H,21,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50108690 (1-(2,4-difluorophenethyl)-4-(phenylsulfonyl)piperi...) Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H21F2NO2S/c20-16-7-6-15(19(21)14-16)8-11-22-12-9-18(10-13-22)25(23,24)17-4-2-1-3-5-17/h1-7,14,18H,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25121 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay				ACS Med Chem Lett 6: 764-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00084 BindingDB Entry DOI: 10.7270/Q2FF3V4D
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50108689 (4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-ph...) Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C19H20ClF2NO2S/c20-15-2-5-17(6-3-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-4-16(21)13-19(14)22/h1-6,13,18H,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50095027 ((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...) Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108690 (1-(2,4-difluorophenethyl)-4-(phenylsulfonyl)piperi...) Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H21F2NO2S/c20-16-7-6-15(19(21)14-16)8-11-22-12-9-18(10-13-22)25(23,24)17-4-2-1-3-5-17/h1-7,14,18H,8-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108688 (1-(4-fluorophenyl)-4-[6-methoxyspiro[3,4-dihydro-2...) Show SMILES COc1ccc2OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)CCc2c1 Show InChI InChI=1S/C24H28FNO3/c1-28-21-8-9-23-19(17-21)10-11-24(29-23)12-15-26(16-13-24)14-2-3-22(27)18-4-6-20(25)7-5-18/h4-9,17H,2-3,10-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50108688 (1-(4-fluorophenyl)-4-[6-methoxyspiro[3,4-dihydro-2...) Show SMILES COc1ccc2OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)CCc2c1 Show InChI InChI=1S/C24H28FNO3/c1-28-21-8-9-23-19(17-21)10-11-24(29-23)12-15-26(16-13-24)14-2-3-22(27)18-4-6-20(25)7-5-18/h4-9,17H,2-3,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50036756 (1'-phenethylspiro[1,2,3,4-tetrahydronaphthalene-2,...) Show SMILES OC1c2ccccc2CCC11CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C22H27NO/c24-21-20-9-5-4-8-19(20)10-12-22(21)13-16-23(17-14-22)15-11-18-6-2-1-3-7-18/h1-9,21,24H,10-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108701 (1'-[2-(2,4-Difluorophenyl)ethyl]-3,4-dihydrospiro[...) Show SMILES Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2S3(=O)=O)c(F)c1 Show InChI InChI=1S/C21H23F2NO2S/c22-18-6-5-16(19(23)15-18)8-12-24-13-10-21(11-14-24)9-7-17-3-1-2-4-20(17)27(21,25)26/h1-6,15H,7-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50112336 (CHEMBL3609305) Show SMILES CC[C@@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay				ACS Med Chem Lett 6: 764-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00084 BindingDB Entry DOI: 10.7270/Q2FF3V4D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108696 (3-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]...) Show SMILES NC(=O)c1cccc(c1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C20H22F2N2O3S/c21-16-5-4-14(19(22)13-16)6-9-24-10-7-17(8-11-24)28(26,27)18-3-1-2-15(12-18)20(23)25/h1-5,12-13,17H,6-11H2,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50108705 (1-(4-Fluorophenyl)-2-[4-(phenylsulfonyl)-1-piperid...) Show SMILES Fc1ccc(cc1)C(=O)CN1CCC(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H20FNO3S/c20-16-8-6-15(7-9-16)19(22)14-21-12-10-18(11-13-21)25(23,24)17-4-2-1-3-5-17/h1-9,18H,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50112340 (CHEMBL3609310) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(OC)c3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-19-10-11-21(24(16-19)38-4)26(36)30-18-12-14-33(2)15-13-18/h10-11,16-18,20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay				ACS Med Chem Lett 6: 764-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00084 BindingDB Entry DOI: 10.7270/Q2FF3V4D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108706 (4-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]...) Show SMILES NC(=O)c1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C20H22F2N2O3S/c21-16-4-1-14(19(22)13-16)7-10-24-11-8-18(9-12-24)28(26,27)17-5-2-15(3-6-17)20(23)25/h1-6,13,18H,7-12H2,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108694 (2-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]...) Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2C#N)c(F)c1 Show InChI InChI=1S/C20H20F2N2O2S/c21-17-6-5-15(19(22)13-17)7-10-24-11-8-18(9-12-24)27(25,26)20-4-2-1-3-16(20)14-23/h1-6,13,18H,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50108707 (3-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]...) Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2cccc(c2)C#N)c(F)c1 Show InChI InChI=1S/C20H20F2N2O2S/c21-17-5-4-16(20(22)13-17)6-9-24-10-7-18(8-11-24)27(25,26)19-3-1-2-15(12-19)14-23/h1-5,12-13,18H,6-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50036756 (1'-phenethylspiro[1,2,3,4-tetrahydronaphthalene-2,...) Show SMILES OC1c2ccccc2CCC11CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C22H27NO/c24-21-20-9-5-4-8-19(20)10-12-22(21)13-16-23(17-14-22)15-11-18-6-2-1-3-7-18/h1-9,21,24H,10-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50108701 (1'-[2-(2,4-Difluorophenyl)ethyl]-3,4-dihydrospiro[...) Show SMILES Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2S3(=O)=O)c(F)c1 Show InChI InChI=1S/C21H23F2NO2S/c22-18-6-5-16(19(23)15-18)8-12-24-13-10-21(11-14-24)9-7-17-3-1-2-4-20(17)27(21,25)26/h1-6,15H,7-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108707 (3-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]...) Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2cccc(c2)C#N)c(F)c1 Show InChI InChI=1S/C20H20F2N2O2S/c21-17-5-4-16(20(22)13-17)6-9-24-10-7-18(8-11-24)27(25,26)19-3-1-2-15(12-19)14-23/h1-5,12-13,18H,6-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50108700 (1'-(2,4-difluorophenethyl)-6-methoxyspiro[3,4-dihy...) Show SMILES COc1ccc2OC3(CCN(CCc4ccc(F)cc4F)CC3)CCc2c1 Show InChI InChI=1S/C22H25F2NO2/c1-26-19-4-5-21-17(14-19)6-8-22(27-21)9-12-25(13-10-22)11-7-16-2-3-18(23)15-20(16)24/h2-5,14-15H,6-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497543 (CHEMBL3359693) Show SMILES CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O3/c1-16(2,3)15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50108697 (1'-(2,4-difluorophenethyl)spiro[3,4-dihydro-2H-chr...) Show SMILES Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2O3)c(F)c1 Show InChI InChI=1S/C21H23F2NO/c22-18-6-5-16(19(23)15-18)8-12-24-13-10-21(11-14-24)9-7-17-3-1-2-4-20(17)25-21/h1-6,15H,7-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497544 (CHEMBL3359688) Show SMILES CC(C)(C)OC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O4/c1-16(2,3)24-15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50112344 (CHEMBL3609314) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C32H45N7O3/c1-4-26-31(41)38(3)27-20-33-32(36-29(27)39(26)23-9-5-6-10-23)35-25-14-13-21(19-28(25)42-24-11-7-8-12-24)30(40)34-22-15-17-37(2)18-16-22/h13-14,19-20,22-24,26H,4-12,15-18H2,1-3H3,(H,34,40)(H,33,35,36)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay				ACS Med Chem Lett 6: 764-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00084 BindingDB Entry DOI: 10.7270/Q2FF3V4D
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50112331 (CHEMBL3609300) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(CC)C1=O |r| Show InChI InChI=1S/C29H41N7O3/c1-5-23-28(38)35(6-2)24-18-30-29(33-26(24)36(23)21-9-7-8-10-21)32-22-12-11-19(17-25(22)39-4)27(37)31-20-13-15-34(3)16-14-20/h11-12,17-18,20-21,23H,5-10,13-16H2,1-4H3,(H,31,37)(H,30,32,33)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay				ACS Med Chem Lett 6: 764-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00084 BindingDB Entry DOI: 10.7270/Q2FF3V4D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of Bcl-2 (unknown origin)				J Med Chem 60: 821-838 (2017) Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of Bcl-xL (unknown origin)				J Med Chem 60: 821-838 (2017) Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50266959 (CHEMBL4085804) Show SMILES CC(C)n1c(C)c(c(c1-c1ccc(Cl)cc1)-c1cc(F)cc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C53H59ClF4N6O7S4/c1-35(2)64-36(3)52(73(4,66)67)50(51(64)37-10-12-39(54)13-11-37)38-30-40(55)32-44(31-38)63-28-26-62(27-29-63)43-16-14-41(15-17-43)60-75(70,71)47-18-19-48(49(33-47)74(68,69)53(56,57)58)59-42(34-72-46-8-6-5-7-9-46)20-23-61-24-21-45(65)22-25-61/h5-19,30-33,35,42,45,59-60,65H,20-29,34H2,1-4H3/t42-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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
University of Maryland Curated by ChEMBL					Assay Description Inhibition of Bcl-2 (unknown origin) by fluorescence polarization assay				J Med Chem 60: 821-838 (2017) Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP
					More data for this Ligand-Target Pair
Bcl-2-like protein 2 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of Bcl-w (unknown origin)				J Med Chem 60: 821-838 (2017) Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50266959 (CHEMBL4085804) Show SMILES CC(C)n1c(C)c(c(c1-c1ccc(Cl)cc1)-c1cc(F)cc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C53H59ClF4N6O7S4/c1-35(2)64-36(3)52(73(4,66)67)50(51(64)37-10-12-39(54)13-11-37)38-30-40(55)32-44(31-38)63-28-26-62(27-29-63)43-16-14-41(15-17-43)60-75(70,71)47-18-19-48(49(33-47)74(68,69)53(56,57)58)59-42(34-72-46-8-6-5-7-9-46)20-23-61-24-21-45(65)22-25-61/h5-19,30-33,35,42,45,59-60,65H,20-29,34H2,1-4H3/t42-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
University of Maryland Curated by ChEMBL					Assay Description Inhibition of Bcl-xL (unknown origin) by fluorescence polarization assay				J Med Chem 60: 821-838 (2017) Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50108706 (4-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]...) Show SMILES NC(=O)c1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C20H22F2N2O3S/c21-16-4-1-14(19(22)13-16)7-10-24-11-8-18(9-12-24)28(26,27)17-5-2-15(3-6-17)20(23)25/h1-6,13,18H,7-12H2,(H2,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108703 (1-(2-Phenylethyl)-4-(phenylsulfonyl)piperidine | 4...) Show SMILES O=S(=O)(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C19H23NO2S/c21-23(22,18-9-5-2-6-10-18)19-12-15-20(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50173700 (3-Phenyl-5-(2-pyridin-4-yl-pyrimidin-4-yl)-pyridaz...) Show SMILES c1ccc(cc1)-c1cc(cnn1)-c1ccnc(n1)-c1ccncc1 Show InChI InChI=1S/C19H13N5/c1-2-4-14(5-3-1)18-12-16(13-22-24-18)17-8-11-21-19(23-17)15-6-9-20-10-7-15/h1-13H	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 expressed in mouse fibroblast ...				J Med Chem 48: 6004-11 (2005) Article DOI: 10.1021/jm050249x BindingDB Entry DOI: 10.7270/Q26H4GZH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108689 (4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-ph...) Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C19H20ClF2NO2S/c20-15-2-5-17(6-3-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-4-16(21)13-19(14)22/h1-6,13,18H,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair

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