Compile Data Set for Download or QSAR

Found 201 hits with Last Name = 'gonzález' and Initial = 'j'   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328467 (5-(Dimethylamino)-N-(4-methoxy-3-piperazin-1-ylphe...) Show SMILES COc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1N1CCNCC1 Show InChI InChI=1S/C23H28N4O3S/c1-26(2)20-8-4-7-19-18(20)6-5-9-23(19)31(28,29)25-17-10-11-22(30-3)21(16-17)27-14-12-24-13-15-27/h4-11,16,24-25H,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense deMadrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 53: 7095-106 (2010) Article DOI: 10.1021/jm1007177 BindingDB Entry DOI: 10.7270/Q2445MQ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50404053 (CHEMBL51767) Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1 Show InChI InChI=1S/C24H28N2O4/c1-18-16-24(27)30-23-17-19(8-9-20(18)23)29-15-5-10-25-11-13-26(14-12-25)21-6-3-4-7-22(21)28-2/h3-4,6-9,16-17H,5,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50404050 (CHEMBL298108) Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(OC)cc(=O)oc3c2)CC1 Show InChI InChI=1S/C24H28N2O5/c1-28-21-7-4-3-6-20(21)26-13-11-25(12-14-26)10-5-15-30-18-8-9-19-22(29-2)17-24(27)31-23(19)16-18/h3-4,6-9,16-17H,5,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328463 (5-Chloro-N-{[5-(dimethylamino)-1-naphthyl]sulfonyl...) Show SMILES COc1ccc(cc1N1CCNCC1)N(S(=O)(=O)c1sc2ccc(Cl)cc2c1C)S(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C32H33ClN4O5S3/c1-21-26-19-22(33)11-14-30(26)43-32(21)45(40,41)37(23-12-13-29(42-4)28(20-23)36-17-15-34-16-18-36)44(38,39)31-10-6-7-24-25(31)8-5-9-27(24)35(2)3/h5-14,19-20,34H,15-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense deMadrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 53: 7095-106 (2010) Article DOI: 10.1021/jm1007177 BindingDB Entry DOI: 10.7270/Q2445MQ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50073272 (4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50404047 (CHEMBL52384) Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ncccn3)ccc12 Show InChI InChI=1S/C21H24N4O4/c1-27-18-15-20(26)29-19-14-16(4-5-17(18)19)28-13-3-8-24-9-11-25(12-10-24)21-22-6-2-7-23-21/h2,4-7,14-15H,3,8-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179030 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyridin-2-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccccn3)ncnc12 Show InChI InChI=1S/C24H25N9O7S/c1-2-25-22(36)19-17(34)18(35)23(40-19)33-12-29-16-20(27-11-28-21(16)33)31-24(37)30-13-6-8-14(9-7-13)41(38,39)32-15-5-3-4-10-26-15/h3-12,17-19,23,34-35H,2H2,1H3,(H,25,36)(H,26,32)(H2,27,28,30,31,37)/t17-,18+,19-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Sugar Cane Station"Villa Clara-Cienfuegos" Curated by ChEMBL					Assay Description Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 15: 3491-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.122 BindingDB Entry DOI: 10.7270/Q24Q7VRZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50404052 (CHEMBL51681) Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc12 Show InChI InChI=1S/C22H25N3O3/c1-17-15-22(26)28-20-16-18(6-7-19(17)20)27-14-4-9-24-10-12-25(13-11-24)21-5-2-3-8-23-21/h2-3,5-8,15-16H,4,9-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328473 (CHEMBL1256172 | N-{6-[4-(5-{[(5-Chloro-3-methyl-1-...) Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCNC(=O)CCCCC2SC[C@@H]3NC(=O)N[C@H]23)CC1 |r| Show InChI InChI=1S/C36H49ClN6O5S3/c1-24-27-21-25(37)11-14-31(27)50-35(24)51(46,47)41-26-12-13-30(48-2)29(22-26)43-19-17-42(18-20-43)16-8-4-3-7-15-38-33(44)10-6-5-9-32-34-28(23-49-32)39-36(45)40-34/h11-14,21-22,28,32,34,41H,3-10,15-20,23H2,1-2H3,(H,38,44)(H2,39,40,45)/t28-,32?,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense deMadrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 53: 7095-106 (2010) Article DOI: 10.1021/jm1007177 BindingDB Entry DOI: 10.7270/Q2445MQ0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179047 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCCOc1ccc(NC(=O)Nc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1 Show InChI InChI=1S/C22H27N7O6/c1-3-9-34-13-7-5-12(6-8-13)27-22(33)28-18-14-19(25-10-24-18)29(11-26-14)21-16(31)15(30)17(35-21)20(32)23-4-2/h5-8,10-11,15-17,21,30-31H,3-4,9H2,1-2H3,(H,23,32)(H2,24,25,27,28,33)/t15-,16+,17-,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Sugar Cane Station"Villa Clara-Cienfuegos" Curated by ChEMBL					Assay Description Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 15: 3491-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.122 BindingDB Entry DOI: 10.7270/Q24Q7VRZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50404049 (CHEMBL48205) Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc12 Show InChI InChI=1S/C22H25N3O4/c1-27-19-16-22(26)29-20-15-17(6-7-18(19)20)28-14-4-9-24-10-12-25(13-11-24)21-5-2-3-8-23-21/h2-3,5-8,15-16H,4,9-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328468 (5-(Dimethylamino)-N-(5-(dimethylamino)naphthalen-1...) Show SMILES COc1ccc(cc1N1CCNCC1)N(S(=O)(=O)c1cccc2c(cccc12)N(C)C)S(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C35H39N5O5S2/c1-37(2)30-14-6-12-28-26(30)10-8-16-34(28)46(41,42)40(25-18-19-33(45-5)32(24-25)39-22-20-36-21-23-39)47(43,44)35-17-9-11-27-29(35)13-7-15-31(27)38(3)4/h6-19,24,36H,20-23H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense deMadrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 53: 7095-106 (2010) Article DOI: 10.1021/jm1007177 BindingDB Entry DOI: 10.7270/Q2445MQ0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50404047 (CHEMBL52384) Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ncccn3)ccc12 Show InChI InChI=1S/C21H24N4O4/c1-27-18-15-20(26)29-19-14-16(4-5-17(18)19)28-13-3-8-24-9-11-25(12-10-24)21-22-6-2-7-23-21/h2,4-7,14-15H,3,8-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50370448 (CHEMBL1791443) Show SMILES CCNC(O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3cc(C)on3)ncnc12 |r| Show InChI InChI=1S/C23H27N9O8S/c1-3-24-21(35)18-16(33)17(34)22(39-18)32-10-27-15-19(25-9-26-20(15)32)29-23(36)28-12-4-6-13(7-5-12)41(37,38)31-14-8-11(2)40-30-14/h4-10,16-18,21-22,24,33-35H,3H2,1-2H3,(H,30,31)(H2,25,26,28,29,36)/t16-,17+,18-,21?,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Sugar Cane Station"Villa Clara-Cienfuegos" Curated by ChEMBL					Assay Description Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 15: 3491-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.122 BindingDB Entry DOI: 10.7270/Q24Q7VRZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328460 (5-Chloro-N-[3-(4-{[5-(dimethylamino)-1-naphthyl]su...) Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CC1)S(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C32H33ClN4O5S3/c1-21-26-19-22(33)11-14-30(26)43-32(21)44(38,39)34-23-12-13-29(42-4)28(20-23)36-15-17-37(18-16-36)45(40,41)31-10-6-7-24-25(31)8-5-9-27(24)35(2)3/h5-14,19-20,34H,15-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense deMadrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 53: 7095-106 (2010) Article DOI: 10.1021/jm1007177 BindingDB Entry DOI: 10.7270/Q2445MQ0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50404053 (CHEMBL51767) Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1 Show InChI InChI=1S/C24H28N2O4/c1-18-16-24(27)30-23-17-19(8-9-20(18)23)29-15-5-10-25-11-13-26(14-12-25)21-6-3-4-7-22(21)28-2/h3-4,6-9,16-17H,5,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328469 (5-(Dimethylamino)-N-(3-{4-[4-({[5-(dimethylamino)-...) Show SMILES COc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1 Show InChI InChI=1S/C39H48N6O5S2/c1-42(2)34-16-8-14-32-30(34)12-10-18-38(32)51(46,47)40-22-6-7-23-44-24-26-45(27-25-44)36-28-29(20-21-37(36)50-5)41-52(48,49)39-19-11-13-31-33(39)15-9-17-35(31)43(3)4/h8-21,28,40-41H,6-7,22-27H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense deMadrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 53: 7095-106 (2010) Article DOI: 10.1021/jm1007177 BindingDB Entry DOI: 10.7270/Q2445MQ0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328471 (5-(Dimethylamino)-N-(8-{4-[5-({[5-(dimethylamino)-...) Show SMILES COc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1N1CCN(CCCCCCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1 Show InChI InChI=1S/C43H56N6O5S2/c1-46(2)38-20-12-18-36-34(38)16-14-22-42(36)55(50,51)44-26-10-8-6-7-9-11-27-48-28-30-49(31-29-48)40-32-33(24-25-41(40)54-5)45-56(52,53)43-23-15-17-35-37(43)19-13-21-39(35)47(3)4/h12-25,32,44-45H,6-11,26-31H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	194	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense deMadrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 53: 7095-106 (2010) Article DOI: 10.1021/jm1007177 BindingDB Entry DOI: 10.7270/Q2445MQ0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328465 (5-Chloro-N-[8-({[5-(dimethylamino)-1-naphthyl]sulf...) Show SMILES COc1ccc(cc1N1CCNCC1)N(CCCCCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)S(=O)(=O)c1sc2ccc(Cl)cc2c1C Show InChI InChI=1S/C40H50ClN5O5S3/c1-29-34-27-30(41)17-20-38(34)52-40(29)54(49,50)46(31-18-19-37(51-4)36(28-31)45-25-22-42-23-26-45)24-10-8-6-5-7-9-21-43-53(47,48)39-16-12-13-32-33(39)14-11-15-35(32)44(2)3/h11-20,27-28,42-43H,5-10,21-26H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	215	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense deMadrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 53: 7095-106 (2010) Article DOI: 10.1021/jm1007177 BindingDB Entry DOI: 10.7270/Q2445MQ0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328461 (5-Chloro-N-(3-{4-[6-({[5-(dimethylamino)-1-naphthy...) Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1 Show InChI InChI=1S/C38H46ClN5O5S3/c1-27-32-25-28(39)15-18-36(32)50-38(27)52(47,48)41-29-16-17-35(49-4)34(26-29)44-23-21-43(22-24-44)20-8-6-5-7-19-40-51(45,46)37-14-10-11-30-31(37)12-9-13-33(30)42(2)3/h9-18,25-26,40-41H,5-8,19-24H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	266	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense deMadrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 53: 7095-106 (2010) Article DOI: 10.1021/jm1007177 BindingDB Entry DOI: 10.7270/Q2445MQ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50404051 (CHEMBL265805) Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ncccn3)ccc12 Show InChI InChI=1S/C21H24N4O3/c1-16-14-20(26)28-19-15-17(4-5-18(16)19)27-13-3-8-24-9-11-25(12-10-24)21-22-6-2-7-23-21/h2,4-7,14-15H,3,8-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50370449 (CHEMBL609340) Show SMILES CCNC(=O)[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ncccn3)ncnc12 |r| Show InChI InChI=1S/C23H24N10O7S/c1-2-24-20(36)17-15(34)16(35)21(40-17)33-11-29-14-18(27-10-28-19(14)33)31-23(37)30-12-4-6-13(7-5-12)41(38,39)32-22-25-8-3-9-26-22/h3-11,15-17,21,34-35H,2H2,1H3,(H,24,36)(H,25,26,32)(H2,27,28,30,31,37)/t15-,16+,17-,21?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	405	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Sugar Cane Station"Villa Clara-Cienfuegos" Curated by ChEMBL					Assay Description Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 15: 3491-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.122 BindingDB Entry DOI: 10.7270/Q24Q7VRZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328462 (5-Chloro-N-(3-{4-[8-({[5-(dimethylamino)-1-naphthy...) Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1 Show InChI InChI=1S/C40H50ClN5O5S3/c1-29-34-27-30(41)17-20-38(34)52-40(29)54(49,50)43-31-18-19-37(51-4)36(28-31)46-25-23-45(24-26-46)22-10-8-6-5-7-9-21-42-53(47,48)39-16-12-13-32-33(39)14-11-15-35(32)44(2)3/h11-20,27-28,42-43H,5-10,21-26H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	447	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense deMadrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 53: 7095-106 (2010) Article DOI: 10.1021/jm1007177 BindingDB Entry DOI: 10.7270/Q2445MQ0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328472 (4-{5-[4-(Dimethylamino)phenyl]-1,3-oxazol-2-yl}-N-...) Show SMILES COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ncc(o2)-c2ccc(cc2)N(C)C)cc1N1CCNCC1 Show InChI InChI=1S/C28H31N5O4S/c1-32(2)23-9-4-20(5-10-23)27-19-30-28(37-27)21-6-11-24(12-7-21)38(34,35)31-22-8-13-26(36-3)25(18-22)33-16-14-29-15-17-33/h4-13,18-19,29,31H,14-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	523	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense deMadrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 53: 7095-106 (2010) Article DOI: 10.1021/jm1007177 BindingDB Entry DOI: 10.7270/Q2445MQ0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50404049 (CHEMBL48205) Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc12 Show InChI InChI=1S/C22H25N3O4/c1-27-19-16-22(26)29-20-15-17(6-7-18(19)20)28-14-4-9-24-10-12-25(13-11-24)21-5-2-3-8-23-21/h2-3,5-8,15-16H,4,9-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328470 (5-(Dimethylamino)-N-(3-{4-[6-({[5-(dimethylamino)-...) Show SMILES COc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1N1CCN(CCCCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1 Show InChI InChI=1S/C41H52N6O5S2/c1-44(2)36-18-10-16-34-32(36)14-12-20-40(34)53(48,49)42-24-8-6-7-9-25-46-26-28-47(29-27-46)38-30-31(22-23-39(38)52-5)43-54(50,51)41-21-13-15-33-35(41)17-11-19-37(33)45(3)4/h10-23,30,42-43H,6-9,24-29H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	554	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense deMadrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 53: 7095-106 (2010) Article DOI: 10.1021/jm1007177 BindingDB Entry DOI: 10.7270/Q2445MQ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50404048 (CHEMBL48194) Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C23H26N2O4/c1-27-21-17-23(26)29-22-16-19(8-9-20(21)22)28-15-5-10-24-11-13-25(14-12-24)18-6-3-2-4-7-18/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328466 (5-Chloro-N-(4-{[8-({[5-(dimethylamino)-1-naphthyl]...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCCOc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 Show InChI InChI=1S/C39H48ClN5O5S3/c1-28-33-26-29(40)16-19-37(33)51-39(28)53(48,49)43-30-17-18-36(35(27-30)45-23-21-41-22-24-45)50-25-9-7-5-4-6-8-20-42-52(46,47)38-15-11-12-31-32(38)13-10-14-34(31)44(2)3/h10-19,26-27,41-43H,4-9,20-25H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	741	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense deMadrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 53: 7095-106 (2010) Article DOI: 10.1021/jm1007177 BindingDB Entry DOI: 10.7270/Q2445MQ0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328464 (5-Chloro-N-[4-({[5-(dimethylamino)-1-naphthyl]sulf...) Show SMILES COc1ccc(cc1N1CCNCC1)N(CCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)S(=O)(=O)c1sc2ccc(Cl)cc2c1C Show InChI InChI=1S/C36H42ClN5O5S3/c1-25-30-23-26(37)13-16-34(30)48-36(25)50(45,46)42(27-14-15-33(47-4)32(24-27)41-21-18-38-19-22-41)20-6-5-17-39-49(43,44)35-12-8-9-28-29(35)10-7-11-31(28)40(2)3/h7-16,23-24,38-39H,5-6,17-22H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	747	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense deMadrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 53: 7095-106 (2010) Article DOI: 10.1021/jm1007177 BindingDB Entry DOI: 10.7270/Q2445MQ0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50073272 (4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	933	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50404052 (CHEMBL51681) Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc12 Show InChI InChI=1S/C22H25N3O3/c1-17-15-22(26)28-20-16-18(6-7-19(17)20)27-14-4-9-24-10-12-25(13-11-24)21-5-2-3-8-23-21/h2-3,5-8,15-16H,4,9-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50404048 (CHEMBL48194) Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C23H26N2O4/c1-27-21-17-23(26)29-22-16-19(8-9-20(21)22)28-15-5-10-24-11-13-25(14-12-24)18-6-3-2-4-7-18/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50404051 (CHEMBL265805) Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ncccn3)ccc12 Show InChI InChI=1S/C21H24N4O3/c1-16-14-20(26)28-19-15-17(4-5-18(16)19)27-13-3-8-24-9-11-25(12-10-24)21-22-6-2-7-23-21/h2,4-7,14-15H,3,8-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50372286 (CHEMBL257111) Show SMILES OCC1CC=CC1n1cnc2c(NC3CCCC3)ncnc12 |w:6.7,2.1,c:4| Show InChI InChI=1S/C16H21N5O/c22-8-11-4-3-7-13(11)21-10-19-14-15(17-9-18-16(14)21)20-12-5-1-2-6-12/h3,7,9-13,22H,1-2,4-6,8H2,(H,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Las Villas Curated by ChEMBL					Assay Description Displacement of [3H]R-N6-phenylisopropyladenosine from adenosine A1 receptor in rat cerebral cortical membrane				Bioorg Med Chem 16: 1658-75 (2008) Article DOI: 10.1016/j.bmc.2007.11.026 BindingDB Entry DOI: 10.7270/Q20C4WMR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50404050 (CHEMBL298108) Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(OC)cc(=O)oc3c2)CC1 Show InChI InChI=1S/C24H28N2O5/c1-28-21-7-4-3-6-20(21)26-13-11-25(12-14-26)10-5-15-30-18-8-9-19-22(29-2)17-24(27)31-23(19)16-18/h3-4,6-9,16-17H,5,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50372288 (CHEMBL272016) Show SMILES CNC(=O)C1CC=CC1n1cnc2c(NCc3ccccc3I)ncnc12 |w:4.3,8.9,c:6| Show InChI InChI=1S/C19H19IN6O/c1-21-19(27)13-6-4-8-15(13)26-11-25-16-17(23-10-24-18(16)26)22-9-12-5-2-3-7-14(12)20/h2-5,7-8,10-11,13,15H,6,9H2,1H3,(H,21,27)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Las Villas Curated by ChEMBL					Assay Description Displacement of [3H]R-N6-phenylisopropyladenosine from adenosine A1 receptor in rat cerebral cortical membrane				Bioorg Med Chem 16: 1658-75 (2008) Article DOI: 10.1016/j.bmc.2007.11.026 BindingDB Entry DOI: 10.7270/Q20C4WMR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50372285 (CHEMBL257684) Show SMILES OCC1CC=CC1n1cnc2c(NCc3ccccc3I)ncnc12 |w:2.1,6.7,c:4| Show InChI InChI=1S/C18H18IN5O/c19-14-6-2-1-4-12(14)8-20-17-16-18(22-10-21-17)24(11-23-16)15-7-3-5-13(15)9-25/h1-4,6-7,10-11,13,15,25H,5,8-9H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Las Villas Curated by ChEMBL					Assay Description Displacement of [3H]R-N6-phenylisopropyladenosine from adenosine A1 receptor in rat cerebral cortical membrane				Bioorg Med Chem 16: 1658-75 (2008) Article DOI: 10.1016/j.bmc.2007.11.026 BindingDB Entry DOI: 10.7270/Q20C4WMR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50372287 (CHEMBL405897) Show SMILES OCC1CC=CC1n1cnc2c(NC3CC3)ncnc12 |w:6.7,2.1,c:4| Show InChI InChI=1S/C14H17N5O/c20-6-9-2-1-3-11(9)19-8-17-12-13(18-10-4-5-10)15-7-16-14(12)19/h1,3,7-11,20H,2,4-6H2,(H,15,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Las Villas Curated by ChEMBL					Assay Description Displacement of [3H]R-N6-phenylisopropyladenosine from adenosine A1 receptor in rat cerebral cortical membrane				Bioorg Med Chem 16: 1658-75 (2008) Article DOI: 10.1016/j.bmc.2007.11.026 BindingDB Entry DOI: 10.7270/Q20C4WMR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50356004 (CHEMBL1911339) Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1 Show InChI InChI=1S/C24H23F2N3O2/c1-13-2-6-16-20(31-29-21(16)27-15-4-5-15)19(13)14-3-7-17-18(12-14)28-22(30)23(17)8-10-24(25,26)11-9-23/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,27,29)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay				Bioorg Med Chem Lett 21: 6253-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.006 BindingDB Entry DOI: 10.7270/Q25B02W3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352565 (CHEMBL1825149) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCSCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C23H24N2O2S/c1-14-2-3-16(21(26)24-17-5-6-17)12-18(14)15-4-7-19-20(13-15)25-22(27)23(19)8-10-28-11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352566 (CHEMBL1825148 | US8772288, 23) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCOCC2)c1)C(=O)Nc1ccon1 Show InChI InChI=1S/C23H21N3O4/c1-14-2-3-16(21(27)25-20-6-9-30-26-20)12-17(14)15-4-5-18-19(13-15)24-22(28)23(18)7-10-29-11-8-23/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,24,28)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50356003 (CHEMBL1911338) Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCOCC2)c1 Show InChI InChI=1S/C23H23N3O3/c1-13-2-6-16-20(29-26-21(16)24-15-4-5-15)19(13)14-3-7-17-18(12-14)25-22(27)23(17)8-10-28-11-9-23/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay				Bioorg Med Chem Lett 21: 6253-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.006 BindingDB Entry DOI: 10.7270/Q25B02W3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50348312 (CHEMBL1800222 | US8772288, 12) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)Nc1ccon1 Show InChI InChI=1S/C23H21N3O3/c1-14-4-5-16(21(27)25-20-8-11-29-26-20)12-17(14)15-6-7-18-19(13-15)24-22(28)23(18)9-2-3-10-23/h4-8,11-13H,2-3,9-10H2,1H3,(H,24,28)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha by FRET assay				Bioorg Med Chem Lett 21: 4130-3 (2011) Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50356002 (CHEMBL1911337) Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C2(C)C)c1 Show InChI InChI=1S/C21H21N3O2/c1-11-4-8-14-18(26-24-19(14)22-13-6-7-13)17(11)12-5-9-15-16(10-12)23-20(25)21(15,2)3/h4-5,8-10,13H,6-7H2,1-3H3,(H,22,24)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay				Bioorg Med Chem Lett 21: 6253-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.006 BindingDB Entry DOI: 10.7270/Q25B02W3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM50420761 (CHEMBL2087507) Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1(C)CC1)C(=O)NC1CC1 Show InChI InChI=1S/C21H21FN4O/c1-12-16(9-14(10-17(12)22)19(27)23-15-3-4-15)13-5-8-26-18(11-13)24-25-20(26)21(2)6-7-21/h5,8-11,15H,3-4,6-7H2,1-2H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 22: 3431-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.099 BindingDB Entry DOI: 10.7270/Q2348MNX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352572 (CHEMBL1825157 | US8772288, 51) Show SMILES Cc1ccc(cc1-c1cc2NC(=O)C3(CCCC3)c2cn1)C(=O)NC1CC1 Show InChI InChI=1S/C22H23N3O2/c1-13-4-5-14(20(26)24-15-6-7-15)10-16(13)18-11-19-17(12-23-18)22(21(27)25-19)8-2-3-9-22/h4-5,10-12,15H,2-3,6-9H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM50420769 (CHEMBL2087515) Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)-c1ccncc1Cl)C(=O)NC1CC1 Show InChI InChI=1S/C22H17ClFN5O/c1-12-17(8-14(9-19(12)24)22(30)26-15-2-3-15)13-5-7-29-20(10-13)27-28-21(29)16-4-6-25-11-18(16)23/h4-11,15H,2-3H2,1H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 22: 3431-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.099 BindingDB Entry DOI: 10.7270/Q2348MNX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50355999 (CHEMBL1911334) Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCCC2)c1 Show InChI InChI=1S/C23H23N3O2/c1-13-4-8-16-20(28-26-21(16)24-15-6-7-15)19(13)14-5-9-17-18(12-14)25-22(27)23(17)10-2-3-11-23/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay				Bioorg Med Chem Lett 21: 6253-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.006 BindingDB Entry DOI: 10.7270/Q25B02W3
					More data for this Ligand-Target Pair

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