Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'hill' and Initial = 'ap'   

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 1B (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50165355 ((2R,4S)-3-(acetylamino)-4-{[(E)-amino(imino)methyl...) Show SMILES [#6]-[#6](=O)-[#7]-[#6]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6?,8?,9+,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibitory concentration against neuraminidase of influenza A/Mem/Bel/71 (H3N1) virus starin; (n=5)				J Med Chem 48: 2964-71 (2005) Article DOI: 10.1021/jm040891b BindingDB Entry DOI: 10.7270/Q2CJ8D10
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50165355 ((2R,4S)-3-(acetylamino)-4-{[(E)-amino(imino)methyl...) Show SMILES [#6]-[#6](=O)-[#7]-[#6]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6?,8?,9+,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.48	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibitory concentration against neuraminidase of influenza A/PR/8/34 (H1N1) virus starin; (n=5)				J Med Chem 48: 2964-71 (2005) Article DOI: 10.1021/jm040891b BindingDB Entry DOI: 10.7270/Q2CJ8D10
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50033383 ((S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)m...) Show SMILES CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 Show InChI InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50165355 ((2R,4S)-3-(acetylamino)-4-{[(E)-amino(imino)methyl...) Show SMILES [#6]-[#6](=O)-[#7]-[#6]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6?,8?,9+,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibitory concentration against neuraminidase of influenza A/Chicken/Vietnam/8/2004(H5N1) virus starin; (n=5)				J Med Chem 48: 2964-71 (2005) Article DOI: 10.1021/jm040891b BindingDB Entry DOI: 10.7270/Q2CJ8D10
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50473516 (CHEMBL2110299) Show SMILES N[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:1.0,wD:3.5,(17.46,-8.49,;16.99,-7.03,;15.61,-6.33,;16.29,-4.97,;17.67,-5.65,;15.82,-3.51,;16.71,-2.25,;15.8,-1.01,;14.33,-1.5,;13,-.73,;11.67,-1.5,;11.67,-3.04,;10.34,-3.81,;10.34,-5.35,;9.1,-6.26,;9.57,-7.71,;11.11,-7.73,;12.2,-8.82,;11.58,-6.26,;13,-3.81,;14.35,-3.04,)| Show InChI InChI=1S/C16H19N3O2/c17-11-5-10(6-11)14-7-18-15-2-1-9(4-13(14)15)3-12-8-21-16(20)19-12/h1-2,4,7,10-12,18H,3,5-6,8,17H2,(H,19,20)/t10-,11-,12?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50380884 (CHEMBL2018954) Show SMILES COc1ccc(COc2nc(Br)cnc2NS(=O)(=O)c2ccc(C)cc2)cc1OCCN(C)C Show InChI InChI=1S/C23H27BrN4O5S/c1-16-5-8-18(9-6-16)34(29,30)27-22-23(26-21(24)14-25-22)33-15-17-7-10-19(31-4)20(13-17)32-12-11-28(2)3/h5-10,13-14H,11-12,15H2,1-4H3,(H,25,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50380881 (CHEMBL2018953) Show SMILES Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@H]2CCCCN2)c(Cl)c1 |r| Show InChI InChI=1S/C24H27Cl2N7O/c25-17-7-6-16(19(26)14-17)15-29-22-18-4-3-9-28-21(18)30-24(31-22)33-12-10-32(11-13-33)23(34)20-5-1-2-8-27-20/h3-4,6-7,9,14,20,27H,1-2,5,8,10-13,15H2,(H,28,29,30,31)/t20-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50033383 ((S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)m...) Show SMILES CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 Show InChI InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490519 (CHEMBL2326625) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C4COCCN4C)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C26H28ClN5O5S2/c1-31-11-12-37-16-20(31)26(33)28-14-17-5-3-6-18(13-17)15-32-19-7-4-8-21(36-2)24(19)25(29-32)30-39(34,35)23-10-9-22(27)38-23/h3-10,13,20H,11-12,14-16H2,1-2H3,(H,28,33)(H,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490519 (CHEMBL2326625) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C4COCCN4C)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C26H28ClN5O5S2/c1-31-11-12-37-16-20(31)26(33)28-14-17-5-3-6-18(13-17)15-32-19-7-4-8-21(36-2)24(19)25(29-32)30-39(34,35)23-10-9-22(27)38-23/h3-10,13,20H,11-12,14-16H2,1-2H3,(H,28,33)(H,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490515 (CHEMBL2326611) Show SMILES CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(CO)cccc23)c1 Show InChI InChI=1S/C22H21ClN4O4S2/c1-14(29)24-11-15-4-2-5-16(10-15)12-27-18-7-3-6-17(13-28)21(18)22(25-27)26-33(30,31)20-9-8-19(23)32-20/h2-10,28H,11-13H2,1H3,(H,24,29)(H,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50473505 (CHEMBL2368256) Show SMILES CN[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:2.1,wD:4.6,(17.04,-8.2,;15.54,-7.89,;15.06,-6.42,;13.68,-5.72,;14.37,-4.36,;15.75,-5.05,;13.89,-2.9,;14.79,-1.64,;13.87,-.4,;12.41,-.89,;11.07,-.12,;9.74,-.89,;9.74,-2.43,;8.41,-3.2,;8.41,-4.74,;7.17,-5.65,;7.64,-7.12,;9.18,-7.12,;10.27,-8.21,;9.66,-5.65,;11.07,-3.2,;12.42,-2.43,)| Show InChI InChI=1S/C17H21N3O2/c1-18-12-6-11(7-12)15-8-19-16-3-2-10(5-14(15)16)4-13-9-22-17(21)20-13/h2-3,5,8,11-13,18-19H,4,6-7,9H2,1H3,(H,20,21)/t11-,12-,13?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50473521 (CHEMBL159332 | CP-122288) Show SMILES [H][C@]1(Cc2c[nH]c3ccc(CS(=O)(=O)NC)cc23)CCCN1C Show InChI InChI=1S/C16H23N3O2S/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50165356 ((2R,4S)-4-carbamimidamido-2-[(1R)-1-({[12-({[(1R)-...) Show SMILES [#6]-[#6](=O)-[#7]-[#6]-1-[#6@@H](-[#8]-[#6](=[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6@H](-[#8]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6@H](-[#6](-[#8])-[#6]-[#8])-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)-[#6](-[#8])-[#6]-[#8] |c:7,46| Show InChI InChI=1S/C38H64N10O16/c1-19(51)45-27-21(47-35(39)40)15-25(33(55)56)61-31(27)29(23(53)17-49)63-37(59)43-13-11-9-7-5-3-4-6-8-10-12-14-44-38(60)64-30(24(54)18-50)32-28(46-20(2)52)22(48-36(41)42)16-26(62-32)34(57)58/h15-16,21-24,27-32,49-50,53-54H,3-14,17-18H2,1-2H3,(H,43,59)(H,44,60)(H,45,51)(H,46,52)(H,55,56)(H,57,58)(H4,39,40,47)(H4,41,42,48)/t21-,22-,23?,24?,27?,28?,29+,30+,31+,32+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.86	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibitory concentration against neuraminidase of influenza A/Mem/Bel/71 (H3N1) virus starin; (n=5)				J Med Chem 48: 2964-71 (2005) Article DOI: 10.1021/jm040891b BindingDB Entry DOI: 10.7270/Q2CJ8D10
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50473512 (CHEMBL2368254) Show SMILES N[C@H]1C[C@@H](C1)c1c[nH]c2ccc(Oc3ccccc3)cc12 |wU:1.0,wD:3.5,(12.4,-12.84,;11.92,-11.37,;10.55,-10.69,;11.23,-9.32,;12.61,-9.99,;10.76,-7.85,;11.65,-6.6,;10.74,-5.35,;9.27,-5.84,;7.94,-5.07,;6.61,-5.86,;6.61,-7.4,;5.27,-8.17,;5.27,-9.71,;6.6,-10.46,;6.61,-12,;5.27,-12.79,;3.93,-12,;3.94,-10.46,;7.94,-8.17,;9.29,-7.38,)| Show InChI InChI=1S/C18H18N2O/c19-13-8-12(9-13)17-11-20-18-7-6-15(10-16(17)18)21-14-4-2-1-3-5-14/h1-7,10-13,20H,8-9,19H2/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490500 (CHEMBL2321924) Show SMILES CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(O)cccc23)c1 Show InChI InChI=1S/C21H19ClN4O4S2/c1-13(27)23-11-14-4-2-5-15(10-14)12-26-16-6-3-7-17(28)20(16)21(24-26)25-32(29,30)19-9-8-18(22)31-19/h2-10,28H,11-12H2,1H3,(H,23,27)(H,24,25)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490524 (CHEMBL2326630) Show SMILES COc1c(F)ccc2n(Cc3cccc(CNC(C)=O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C22H20ClFN4O4S2/c1-13(29)25-11-14-4-3-5-15(10-14)12-28-17-7-6-16(24)21(32-2)20(17)22(26-28)27-34(30,31)19-9-8-18(23)33-19/h3-10H,11-12H2,1-2H3,(H,25,29)(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50473512 (CHEMBL2368254) Show SMILES N[C@H]1C[C@@H](C1)c1c[nH]c2ccc(Oc3ccccc3)cc12 |wU:1.0,wD:3.5,(12.4,-12.84,;11.92,-11.37,;10.55,-10.69,;11.23,-9.32,;12.61,-9.99,;10.76,-7.85,;11.65,-6.6,;10.74,-5.35,;9.27,-5.84,;7.94,-5.07,;6.61,-5.86,;6.61,-7.4,;5.27,-8.17,;5.27,-9.71,;6.6,-10.46,;6.61,-12,;5.27,-12.79,;3.93,-12,;3.94,-10.46,;7.94,-8.17,;9.29,-7.38,)| Show InChI InChI=1S/C18H18N2O/c19-13-8-12(9-13)17-11-20-18-7-6-15(10-16(17)18)21-14-4-2-1-3-5-14/h1-7,10-13,20H,8-9,19H2/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50473521 (CHEMBL159332 | CP-122288) Show SMILES [H][C@]1(Cc2c[nH]c3ccc(CS(=O)(=O)NC)cc23)CCCN1C Show InChI InChI=1S/C16H23N3O2S/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50473508 (CHEMBL158638) Show SMILES CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(cc12)C(N)=O |wU:5.7,wD:3.2,(14.61,-11.78,;15.62,-10.62,;17.13,-10.94,;15.14,-9.17,;15.83,-7.79,;14.45,-7.1,;13.77,-8.47,;13.98,-5.65,;14.87,-4.39,;13.96,-3.15,;12.49,-3.64,;11.16,-2.87,;9.83,-3.64,;9.83,-5.18,;11.16,-5.95,;12.51,-5.18,;8.49,-5.95,;8.49,-7.47,;7.16,-5.18,)| Show InChI InChI=1S/C15H19N3O/c1-18(2)11-5-10(6-11)13-8-17-14-4-3-9(15(16)19)7-12(13)14/h3-4,7-8,10-11,17H,5-6H2,1-2H3,(H2,16,19)/t10-,11-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50473503 (CHEMBL2110300) Show SMILES CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:3.2,wD:5.7,(12.22,-9.08,;13.25,-7.93,;14.76,-8.24,;12.76,-6.47,;11.38,-5.77,;12.08,-4.41,;13.46,-5.09,;11.59,-2.95,;12.5,-1.69,;11.59,-.45,;10.13,-.94,;8.79,-.17,;7.46,-.94,;7.46,-2.48,;6.12,-3.25,;6.12,-4.79,;4.88,-5.7,;5.36,-7.16,;6.9,-7.17,;7.98,-8.25,;7.37,-5.7,;8.79,-3.25,;10.13,-2.48,)| Show InChI InChI=1S/C18H23N3O2/c1-21(2)14-7-12(8-14)16-9-19-17-4-3-11(6-15(16)17)5-13-10-23-18(22)20-13/h3-4,6,9,12-14,19H,5,7-8,10H2,1-2H3,(H,20,22)/t12-,13?,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490511 (CHEMBL2326624) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)[C@@H]4COCCN4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 |r| Show InChI InChI=1S/C25H26ClN5O5S2/c1-35-20-7-3-6-19-23(20)24(30-38(33,34)22-9-8-21(26)37-22)29-31(19)14-17-5-2-4-16(12-17)13-28-25(32)18-15-36-11-10-27-18/h2-9,12,18,27H,10-11,13-15H2,1H3,(H,28,32)(H,29,30)/t18-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490530 (CHEMBL2326926) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3ccc(C)c(F)c3)c12 Show InChI InChI=1S/C27H29FN4O5S/c1-17-11-12-20(14-21(17)28)38(35,36)31-25-24-22(9-6-10-23(24)37-4)32(30-25)16-19-8-5-7-18(13-19)15-29-26(33)27(2,3)34/h5-14,34H,15-16H2,1-4H3,(H,29,33)(H,30,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490506 (CHEMBL2326633) Show SMILES COc1cc(F)cc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C24H24ClFN4O5S2/c1-24(2,32)23(31)27-12-14-5-4-6-15(9-14)13-30-17-10-16(26)11-18(35-3)21(17)22(28-30)29-37(33,34)20-8-7-19(25)36-20/h4-11,32H,12-13H2,1-3H3,(H,27,31)(H,28,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490512 (CHEMBL2326621) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)N)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C24H26ClN5O4S2/c1-24(2,26)23(31)27-13-15-6-4-7-16(12-15)14-30-17-8-5-9-18(34-3)21(17)22(28-30)29-36(32,33)20-11-10-19(25)35-20/h4-12H,13-14,26H2,1-3H3,(H,27,31)(H,28,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490520 (CHEMBL2326620) Show SMILES CN[C@H](C)C(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc23)c1 |r| Show InChI InChI=1S/C24H26ClN5O4S2/c1-15(26-2)24(31)27-13-16-6-4-7-17(12-16)14-30-18-8-5-9-19(34-3)22(18)23(28-30)29-36(32,33)21-11-10-20(25)35-21/h4-12,15,26H,13-14H2,1-3H3,(H,27,31)(H,28,29)/t15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490531 (CHEMBL2326622) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)[C@@H]4CCCCN4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 |r| Show InChI InChI=1S/C26H28ClN5O4S2/c1-36-21-10-5-9-20-24(21)25(31-38(34,35)23-12-11-22(27)37-23)30-32(20)16-18-7-4-6-17(14-18)15-29-26(33)19-8-2-3-13-28-19/h4-7,9-12,14,19,28H,2-3,8,13,15-16H2,1H3,(H,29,33)(H,30,31)/t19-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50473516 (CHEMBL2110299) Show SMILES N[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:1.0,wD:3.5,(17.46,-8.49,;16.99,-7.03,;15.61,-6.33,;16.29,-4.97,;17.67,-5.65,;15.82,-3.51,;16.71,-2.25,;15.8,-1.01,;14.33,-1.5,;13,-.73,;11.67,-1.5,;11.67,-3.04,;10.34,-3.81,;10.34,-5.35,;9.1,-6.26,;9.57,-7.71,;11.11,-7.73,;12.2,-8.82,;11.58,-6.26,;13,-3.81,;14.35,-3.04,)| Show InChI InChI=1S/C16H19N3O2/c17-11-5-10(6-11)14-7-18-15-2-1-9(4-13(14)15)3-12-8-21-16(20)19-12/h1-2,4,7,10-12,18H,3,5-6,8,17H2,(H,19,20)/t10-,11-,12?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490518 (CHEMBL2326613) Show SMILES CC(O)c1cccc2n(Cc3cccc(CNC(C)=O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C23H23ClN4O4S2/c1-14(29)18-7-4-8-19-22(18)23(27-34(31,32)21-10-9-20(24)33-21)26-28(19)13-17-6-3-5-16(11-17)12-25-15(2)30/h3-11,14,29H,12-13H2,1-2H3,(H,25,30)(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490522 (CHEMBL2326616) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C4COC4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C24H23ClN4O5S2/c1-33-19-7-3-6-18-22(19)23(28-36(31,32)21-9-8-20(25)35-21)27-29(18)12-16-5-2-4-15(10-16)11-26-24(30)17-13-34-14-17/h2-10,17H,11-14H2,1H3,(H,26,30)(H,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50165356 ((2R,4S)-4-carbamimidamido-2-[(1R)-1-({[12-({[(1R)-...) Show SMILES [#6]-[#6](=O)-[#7]-[#6]-1-[#6@@H](-[#8]-[#6](=[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6@H](-[#8]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6@H](-[#6](-[#8])-[#6]-[#8])-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)-[#6](-[#8])-[#6]-[#8] |c:7,46| Show InChI InChI=1S/C38H64N10O16/c1-19(51)45-27-21(47-35(39)40)15-25(33(55)56)61-31(27)29(23(53)17-49)63-37(59)43-13-11-9-7-5-3-4-6-8-10-12-14-44-38(60)64-30(24(54)18-50)32-28(46-20(2)52)22(48-36(41)42)16-26(62-32)34(57)58/h15-16,21-24,27-32,49-50,53-54H,3-14,17-18H2,1-2H3,(H,43,59)(H,44,60)(H,45,51)(H,46,52)(H,55,56)(H,57,58)(H4,39,40,47)(H4,41,42,48)/t21-,22-,23?,24?,27?,28?,29+,30+,31+,32+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.7	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibitory concentration against neuraminidase of influenza A/PR/8/34 (H1N1) virus starin; (n=5)				J Med Chem 48: 2964-71 (2005) Article DOI: 10.1021/jm040891b BindingDB Entry DOI: 10.7270/Q2CJ8D10
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490517 (CHEMBL2326623) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)[C@H]4COCCN4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 |r| Show InChI InChI=1S/C25H26ClN5O5S2/c1-35-20-7-3-6-19-23(20)24(30-38(33,34)22-9-8-21(26)37-22)29-31(19)14-17-5-2-4-16(12-17)13-28-25(32)18-15-36-11-10-27-18/h2-9,12,18,27H,10-11,13-15H2,1H3,(H,28,32)(H,29,30)/t18-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50473504 (CHEMBL3084967) Show SMILES CN(C)[C@H]1C[C@H](Cc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1 |wU:3.2,wD:5.5,15.14,(19.87,-5.25,;19.38,-3.78,;20.41,-2.63,;17.88,-3.47,;16.6,-4.31,;15.76,-3.03,;14.25,-2.71,;13.76,-1.26,;14.67,-.01,;13.75,1.24,;12.29,.75,;10.96,1.52,;9.63,.74,;9.63,-.8,;8.28,-1.57,;8.28,-3.11,;7.05,-4.01,;7.53,-5.48,;9.07,-5.48,;10.15,-6.56,;9.54,-4.01,;10.96,-1.57,;12.29,-.79,;17.04,-2.18,)| Show InChI InChI=1S/C19H25N3O2/c1-22(2)16-7-13(8-16)5-14-10-20-18-4-3-12(9-17(14)18)6-15-11-24-19(23)21-15/h3-4,9-10,13,15-16,20H,5-8,11H2,1-2H3,(H,21,23)/t13-,15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50380867 (CHEMBL2018964) Show SMILES COc1cccc2n(Cc3cccc(CNC(C)=O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C22H21ClN4O4S2/c1-14(28)24-12-15-5-3-6-16(11-15)13-27-17-7-4-8-18(31-2)21(17)22(25-27)26-33(29,30)20-10-9-19(23)32-20/h3-11H,12-13H2,1-2H3,(H,24,28)(H,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490525 (CHEMBL2326619) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C4CCOCC4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C26H27ClN4O5S2/c1-35-21-7-3-6-20-24(21)25(30-38(33,34)23-9-8-22(27)37-23)29-31(20)16-18-5-2-4-17(14-18)15-28-26(32)19-10-12-36-13-11-19/h2-9,14,19H,10-13,15-16H2,1H3,(H,28,32)(H,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50473505 (CHEMBL2368256) Show SMILES CN[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:2.1,wD:4.6,(17.04,-8.2,;15.54,-7.89,;15.06,-6.42,;13.68,-5.72,;14.37,-4.36,;15.75,-5.05,;13.89,-2.9,;14.79,-1.64,;13.87,-.4,;12.41,-.89,;11.07,-.12,;9.74,-.89,;9.74,-2.43,;8.41,-3.2,;8.41,-4.74,;7.17,-5.65,;7.64,-7.12,;9.18,-7.12,;10.27,-8.21,;9.66,-5.65,;11.07,-3.2,;12.42,-2.43,)| Show InChI InChI=1S/C17H21N3O2/c1-18-12-6-11(7-12)15-8-19-16-3-2-10(5-14(15)16)4-13-9-22-17(21)20-13/h2-3,5,8,11-13,18-19H,4,6-7,9H2,1H3,(H,20,21)/t11-,12-,13?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490529 (CHEMBL2326617) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C4CCO4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C24H23ClN4O5S2/c1-33-18-7-3-6-17-22(18)23(28-36(31,32)21-9-8-20(25)35-21)27-29(17)14-16-5-2-4-15(12-16)13-26-24(30)19-10-11-34-19/h2-9,12,19H,10-11,13-14H2,1H3,(H,26,30)(H,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490502 (CHEMBL2326608) Show SMILES CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(Cl)cccc23)c1 Show InChI InChI=1S/C21H18Cl2N4O3S2/c1-13(28)24-11-14-4-2-5-15(10-14)12-27-17-7-3-6-16(22)20(17)21(25-27)26-32(29,30)19-9-8-18(23)31-19/h2-10H,11-12H2,1H3,(H,24,28)(H,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490516 (CHEMBL2326632) Show SMILES COc1cc(F)cc2n(Cc3cccc(CNC(C)=O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C22H20ClFN4O4S2/c1-13(29)25-11-14-4-3-5-15(8-14)12-28-17-9-16(24)10-18(32-2)21(17)22(26-28)27-34(30,31)20-7-6-19(23)33-20/h3-10H,11-12H2,1-2H3,(H,25,29)(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490507 (CHEMBL2326631) Show SMILES COc1c(F)ccc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C24H24ClFN4O5S2/c1-24(2,32)23(31)27-12-14-5-4-6-15(11-14)13-30-17-8-7-16(26)21(35-3)20(17)22(28-30)29-37(33,34)19-10-9-18(25)36-19/h4-11,32H,12-13H2,1-3H3,(H,27,31)(H,28,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50380880 (CHEMBL2018969) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C24H25ClN4O5S2/c1-24(2,31)23(30)26-13-15-6-4-7-16(12-15)14-29-17-8-5-9-18(34-3)21(17)22(27-29)28-36(32,33)20-11-10-19(25)35-20/h4-12,31H,13-14H2,1-3H3,(H,26,30)(H,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490513 (CHEMBL2326618) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C4CCCO4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C25H25ClN4O5S2/c1-34-19-8-3-7-18-23(19)24(29-37(32,33)22-11-10-21(26)36-22)28-30(18)15-17-6-2-5-16(13-17)14-27-25(31)20-9-4-12-35-20/h2-3,5-8,10-11,13,20H,4,9,12,14-15H2,1H3,(H,27,31)(H,28,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50473508 (CHEMBL158638) Show SMILES CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(cc12)C(N)=O |wU:5.7,wD:3.2,(14.61,-11.78,;15.62,-10.62,;17.13,-10.94,;15.14,-9.17,;15.83,-7.79,;14.45,-7.1,;13.77,-8.47,;13.98,-5.65,;14.87,-4.39,;13.96,-3.15,;12.49,-3.64,;11.16,-2.87,;9.83,-3.64,;9.83,-5.18,;11.16,-5.95,;12.51,-5.18,;8.49,-5.95,;8.49,-7.47,;7.16,-5.18,)| Show InChI InChI=1S/C15H19N3O/c1-18(2)11-5-10(6-11)13-8-17-14-4-3-9(15(16)19)7-12(13)14/h3-4,7-8,10-11,17H,5-6H2,1-2H3,(H2,16,19)/t10-,11-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490504 (CHEMBL2326924) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3cccc(Cl)c3)c12 Show InChI InChI=1S/C26H27ClN4O5S/c1-26(2,33)25(32)28-15-17-7-4-8-18(13-17)16-31-21-11-6-12-22(36-3)23(21)24(29-31)30-37(34,35)20-10-5-9-19(27)14-20/h4-14,33H,15-16H2,1-3H3,(H,28,32)(H,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50473509 (CHEMBL2368257) Show SMILES CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3C)cc12 |wU:3.2,wD:5.7,(17.55,-9.96,;18.56,-8.8,;20.07,-9.12,;18.08,-7.35,;16.71,-6.66,;17.39,-5.28,;18.77,-5.97,;16.92,-3.83,;17.81,-2.57,;16.9,-1.33,;15.43,-1.82,;14.1,-1.05,;12.77,-1.83,;12.77,-3.37,;11.43,-4.14,;11.43,-5.68,;10.2,-6.58,;10.67,-8.05,;12.21,-8.05,;13.3,-9.13,;12.68,-6.58,;14.22,-6.58,;14.1,-4.14,;15.45,-3.36,)| Show InChI InChI=1S/C19H25N3O2/c1-21(2)14-8-13(9-14)17-10-20-18-5-4-12(7-16(17)18)6-15-11-24-19(23)22(15)3/h4-5,7,10,13-15,20H,6,8-9,11H2,1-3H3/t13-,14-,15?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50473509 (CHEMBL2368257) Show SMILES CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3C)cc12 |wU:3.2,wD:5.7,(17.55,-9.96,;18.56,-8.8,;20.07,-9.12,;18.08,-7.35,;16.71,-6.66,;17.39,-5.28,;18.77,-5.97,;16.92,-3.83,;17.81,-2.57,;16.9,-1.33,;15.43,-1.82,;14.1,-1.05,;12.77,-1.83,;12.77,-3.37,;11.43,-4.14,;11.43,-5.68,;10.2,-6.58,;10.67,-8.05,;12.21,-8.05,;13.3,-9.13,;12.68,-6.58,;14.22,-6.58,;14.1,-4.14,;15.45,-3.36,)| Show InChI InChI=1S/C19H25N3O2/c1-21(2)14-8-13(9-14)17-10-20-18-5-4-12(7-16(17)18)6-15-11-24-19(23)22(15)3/h4-5,7,10,13-15,20H,6,8-9,11H2,1-3H3/t13-,14-,15?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50165356 ((2R,4S)-4-carbamimidamido-2-[(1R)-1-({[12-({[(1R)-...) Show SMILES [#6]-[#6](=O)-[#7]-[#6]-1-[#6@@H](-[#8]-[#6](=[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6@H](-[#8]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6@H](-[#6](-[#8])-[#6]-[#8])-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)-[#6](-[#8])-[#6]-[#8] |c:7,46| Show InChI InChI=1S/C38H64N10O16/c1-19(51)45-27-21(47-35(39)40)15-25(33(55)56)61-31(27)29(23(53)17-49)63-37(59)43-13-11-9-7-5-3-4-6-8-10-12-14-44-38(60)64-30(24(54)18-50)32-28(46-20(2)52)22(48-36(41)42)16-26(62-32)34(57)58/h15-16,21-24,27-32,49-50,53-54H,3-14,17-18H2,1-2H3,(H,43,59)(H,44,60)(H,45,51)(H,46,52)(H,55,56)(H,57,58)(H4,39,40,47)(H4,41,42,48)/t21-,22-,23?,24?,27?,28?,29+,30+,31+,32+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibitory concentration against neuraminidase of influenza A/Chicken/Vietnam/8/2004(H5N1) virus starin; (n=5)				J Med Chem 48: 2964-71 (2005) Article DOI: 10.1021/jm040891b BindingDB Entry DOI: 10.7270/Q2CJ8D10
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50473501 (CHEMBL2368253) Show SMILES CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(Oc3ccccc3)cc12 |wU:3.2,wD:5.7,(11.39,-13.98,;12.4,-12.84,;13.91,-13.14,;11.92,-11.37,;10.55,-10.69,;11.23,-9.32,;12.61,-9.99,;10.76,-7.85,;11.65,-6.6,;10.74,-5.35,;9.27,-5.84,;7.94,-5.07,;6.61,-5.86,;6.61,-7.4,;5.27,-8.17,;5.27,-9.71,;6.6,-10.46,;6.61,-12,;5.27,-12.79,;3.93,-12,;3.94,-10.46,;7.94,-8.17,;9.29,-7.38,)| Show InChI InChI=1S/C20H22N2O/c1-22(2)15-10-14(11-15)19-13-21-20-9-8-17(12-18(19)20)23-16-6-4-3-5-7-16/h3-9,12-15,21H,10-11H2,1-2H3/t14-,15-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair

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