Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'gonzález' and Initial = 'a'   

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 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
Platelet-activating factor receptor (Cavia porcellus)	BDBM50014005 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES COC(=O)C1C(C)C(C(=O)OCCSc2ccccc2)=C(C)N=C1C |c:23,t:20| Show InChI InChI=1S/C19H23NO4S/c1-12-16(18(21)23-4)13(2)20-14(3)17(12)19(22)24-10-11-25-15-8-6-5-7-9-15/h5-9,12,16H,10-11H2,1-4H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALTER, S.A. Curated by ChEMBL					Assay Description Tested for inhibition of [3H]PAF binding to rabbit platelet Platelet activating factor receptor				J Med Chem 33: 3205-10 (1991) BindingDB Entry DOI: 10.7270/Q2PV6KZ9
					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
Platelet-activating factor receptor (Cavia porcellus)	BDBM50014007 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES CCOC(=O)C1C(C)C(C(=O)OCCSc2ccccc2)=C(C)N=C1C |c:24,t:21| Show InChI InChI=1S/C20H25NO4S/c1-5-24-19(22)17-13(2)18(15(4)21-14(17)3)20(23)25-11-12-26-16-9-7-6-8-10-16/h6-10,13,17H,5,11-12H2,1-4H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALTER, S.A. Curated by ChEMBL					Assay Description Tested for inhibition of [3H]PAF binding to rabbit platelet Platelet activating factor receptor				J Med Chem 33: 3205-10 (1991) BindingDB Entry DOI: 10.7270/Q2PV6KZ9
					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
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 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 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
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
Platelet-activating factor receptor (Cavia porcellus)	BDBM50014009 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES CCSCCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC |c:8,t:11| Show InChI InChI=1S/C15H23NO4S/c1-6-21-8-7-20-15(18)13-9(2)12(14(17)19-5)10(3)16-11(13)4/h9,12H,6-8H2,1-5H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	505	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALTER, S.A. Curated by ChEMBL					Assay Description Tested for inhibition of [3H]PAF binding to rabbit platelet Platelet activating factor receptor				J Med Chem 33: 3205-10 (1991) BindingDB Entry DOI: 10.7270/Q2PV6KZ9
					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 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
Platelet-activating factor receptor (Cavia porcellus)	BDBM50014013 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES COC(=O)C1C(C)C(C(=O)OCCSC)=C(C)N=C1C |c:17,t:14| Show InChI InChI=1S/C14H21NO4S/c1-8-11(13(16)18-4)9(2)15-10(3)12(8)14(17)19-6-7-20-5/h8,11H,6-7H2,1-5H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALTER, S.A. Curated by ChEMBL					Assay Description Tested for inhibition of [3H]PAF binding to rabbit platelet Platelet activating factor receptor				J Med Chem 33: 3205-10 (1991) BindingDB Entry DOI: 10.7270/Q2PV6KZ9
					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
Platelet-activating factor receptor (Cavia porcellus)	BDBM50014012 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES CC(C)OC(=O)C1C(C)C(C(=O)OCCSc2ccccc2)=C(C)N=C1C |c:25,t:22| Show InChI InChI=1S/C21H27NO4S/c1-13(2)26-21(24)19-14(3)18(15(4)22-16(19)5)20(23)25-11-12-27-17-9-7-6-8-10-17/h6-10,13-14,19H,11-12H2,1-5H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	913	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALTER, S.A. Curated by ChEMBL					Assay Description Tested for inhibition of [3H]PAF binding to rabbit platelet Platelet activating factor receptor				J Med Chem 33: 3205-10 (1991) BindingDB Entry DOI: 10.7270/Q2PV6KZ9
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50014004 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES CCOC(=O)C1C(C)C(C(=O)OCCSCC)=C(C)N=C1C |c:19,t:16| Show InChI InChI=1S/C16H25NO4S/c1-6-20-15(18)13-10(3)14(12(5)17-11(13)4)16(19)21-8-9-22-7-2/h10,13H,6-9H2,1-5H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALTER, S.A. Curated by ChEMBL					Assay Description Tested for inhibition of [3H]PAF binding to rabbit platelet Platelet activating factor receptor				J Med Chem 33: 3205-10 (1991) BindingDB Entry DOI: 10.7270/Q2PV6KZ9
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50014011 (4-Ethyl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dica...) Show SMILES CCOC(=O)C1C(CC)C(C(=O)OCCSC)=C(C)N=C1C |c:19,t:16| Show InChI InChI=1S/C16H25NO4S/c1-6-12-13(15(18)20-7-2)10(3)17-11(4)14(12)16(19)21-8-9-22-5/h12-13H,6-9H2,1-5H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALTER, S.A. Curated by ChEMBL					Assay Description Tested for inhibition of [3H]PAF binding to rabbit platelet Platelet activating factor receptor				J Med Chem 33: 3205-10 (1991) BindingDB Entry DOI: 10.7270/Q2PV6KZ9
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50014008 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES CCOC(=O)C1C(C)C(C(=O)OCCSC)=C(C)N=C1C |c:18,t:15| Show InChI InChI=1S/C15H23NO4S/c1-6-19-14(17)12-9(2)13(11(4)16-10(12)3)15(18)20-7-8-21-5/h9,12H,6-8H2,1-5H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALTER, S.A. Curated by ChEMBL					Assay Description Tested for inhibition of [3H]PAF binding to rabbit platelet Platelet activating factor receptor				J Med Chem 33: 3205-10 (1991) BindingDB Entry DOI: 10.7270/Q2PV6KZ9
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50014010 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES CC1C(C(=O)OCC2CCCO2)C(C)=NC(C)=C1C(=O)OCCSc1ccccc1 |c:14,17| Show InChI InChI=1S/C23H29NO5S/c1-15-20(22(25)28-12-13-30-19-9-5-4-6-10-19)16(2)24-17(3)21(15)23(26)29-14-18-8-7-11-27-18/h4-6,9-10,15,18,21H,7-8,11-14H2,1-3H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALTER, S.A. Curated by ChEMBL					Assay Description Tested for inhibition of [3H]PAF binding to rabbit platelet Platelet activating factor receptor				J Med Chem 33: 3205-10 (1991) BindingDB Entry DOI: 10.7270/Q2PV6KZ9
					More data for this Ligand-Target Pair
Phospholipase C (Bacillus cereus)	BDBM50332115 (3-(N-(benzyloxy)-2-(tert-butyloxycarbonylamino)dod...) Show SMILES CCCCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1 Show InChI InChI=1S/C30H53N3O4/c1-8-9-10-11-12-13-14-18-22-27(31-29(35)37-30(2,3)4)28(34)32(23-19-24-33(5,6)7)36-25-26-20-16-15-17-21-26/h15-17,20-21,27H,8-14,18-19,22-25H2,1-7H3/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advance Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Mixed-type inhibition of Bacillus cereus phosphatidylcholine preferred phospholipase C by Dixon plot analysis				Bioorg Med Chem 18: 8549-55 (2010) Article DOI: 10.1016/j.bmc.2010.10.031 BindingDB Entry DOI: 10.7270/Q2VH5P32
					More data for this Ligand-Target Pair
Phospholipase C (Bacillus cereus)	BDBM50332109 (CHEMBL1287861 | Tert-butyl 1-(benzyloxy[3-(dimethy...) Show SMILES CCCCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)N(CCCN(C)C)OCc1ccccc1 Show InChI InChI=1S/C29H51N3O4/c1-7-8-9-10-11-12-13-17-21-26(30-28(34)36-29(2,3)4)27(33)32(23-18-22-31(5)6)35-24-25-19-15-14-16-20-25/h14-16,19-20,26H,7-13,17-18,21-24H2,1-6H3,(H,30,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advance Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus cereus phosphatidylcholine preferred phospholipase C by Dixon plot analysis				Bioorg Med Chem 18: 8549-55 (2010) Article DOI: 10.1016/j.bmc.2010.10.031 BindingDB Entry DOI: 10.7270/Q2VH5P32
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50014006 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES COCCOC(=O)C1C(C)C(C(=O)OCCSC)=C(C)N=C1C |c:20,t:17| Show InChI InChI=1S/C16H25NO5S/c1-10-13(15(18)21-7-6-20-4)11(2)17-12(3)14(10)16(19)22-8-9-23-5/h10,13H,6-9H2,1-5H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALTER, S.A. Curated by ChEMBL					Assay Description Tested for inhibition of [3H]PAF binding to rabbit platelet Platelet activating factor receptor				J Med Chem 33: 3205-10 (1991) BindingDB Entry DOI: 10.7270/Q2PV6KZ9
					More data for this Ligand-Target Pair
Phospholipase C (Bacillus cereus)	BDBM50332105 (1-(hydroxy(2-(trimethylammonio)ethyl)amino)-1-oxod...) Show SMILES CCCCCCCCCCC([NH3+])C(=O)N(O)CC[N+](C)(C)C Show InChI InChI=1S/C17H38N3O2/c1-5-6-7-8-9-10-11-12-13-16(18)17(21)19(22)14-15-20(2,3)4/h16,22H,5-15,18H2,1-4H3/q+1/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advance Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Uncompetitive inhibition of Bacillus cereus phosphatidylcholine preferred phospholipase C by Dixon plot analysis				Bioorg Med Chem 18: 8549-55 (2010) Article DOI: 10.1016/j.bmc.2010.10.031 BindingDB Entry DOI: 10.7270/Q2VH5P32
					More data for this Ligand-Target Pair
Phospholipase C (Bacillus cereus)	BDBM50332119 (1-(hydroxy[3-(trimethylammonio)propyl]amino)-1-oxo...) Show SMILES CCCCCCCCCCC([NH3+])C(=O)N(O)CCC[N+](C)(C)C Show InChI InChI=1S/C18H40N3O2/c1-5-6-7-8-9-10-11-12-14-17(19)18(22)20(23)15-13-16-21(2,3)4/h17,23H,5-16,19H2,1-4H3/q+1/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advance Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Mixed-type inhibition of Bacillus cereus phosphatidylcholine preferred phospholipase C by Dixon plot analysis				Bioorg Med Chem 18: 8549-55 (2010) Article DOI: 10.1016/j.bmc.2010.10.031 BindingDB Entry DOI: 10.7270/Q2VH5P32
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50318494 (3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...) Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8| Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALTER, S.A. Curated by ChEMBL					Assay Description Tested for inhibition of [3H]PAF binding to rabbit platelet Platelet activating factor receptor				J Med Chem 33: 3205-10 (1991) BindingDB Entry DOI: 10.7270/Q2PV6KZ9
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002644 (2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC(C)OC(=[OH+])C1=C(C)N=C(C)C(C1c1ccccc1[N+]([O-])=O)=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O |w:23.25,c:6,t:9| Show InChI InChI=1S/C26H25N3O9S/c1-14(2)38-26(32)22-16(4)27-15(3)21(23(22)17-9-5-7-11-19(17)29(33)34)25(31)37-13-28-24(30)18-10-6-8-12-20(18)39(28,35)36/h5-12,14,23,31H,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50336640 ((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...) Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10| Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002628 (4-(2,3-Dichloro-phenyl)-2,6-dimethyl-1,4-dihydro-p...) Show SMILES COCCOC(=O)C1C(C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)=C(C)N=C1C)c1cccc(Cl)c1Cl |c:30,t:27| Show InChI InChI=1S/C26H24Cl2N2O8S/c1-14-20(25(32)37-12-11-36-3)22(17-8-6-9-18(27)23(17)28)21(15(2)29-14)26(33)38-13-30-24(31)16-7-4-5-10-19(16)39(30,34)35/h4-10,20,22H,11-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002603 (2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CCOC(=[OH+])C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O |w:22.24,c:5,t:8| Show InChI InChI=1S/C25H23N3O9S/c1-4-36-24(30)20-14(2)26-15(3)21(22(20)16-8-7-9-17(12-16)28(32)33)25(31)37-13-27-23(29)18-10-5-6-11-19(18)38(27,34)35/h5-12,22,31H,4,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002613 (2,6-Dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihy...) Show SMILES CC1=NC(C)=C(C(C1C(=O)OCC1CCCCO1)c1ccccc1C(F)(F)F)C(=O)OCN1C(=O)c2ccccc2S1(=O)=O |c:4,t:1| Show InChI InChI=1S/C30H29F3N2O8S/c1-17-24(28(37)42-15-19-9-7-8-14-41-19)26(20-10-3-5-12-22(20)30(31,32)33)25(18(2)34-17)29(38)43-16-35-27(36)21-11-4-6-13-23(21)44(35,39)40/h3-6,10-13,19,24,26H,7-9,14-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002626 (2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES COCCOC(=[OH+])C1=C(C)N=C(C)C(C1c1ccccc1[N+]([O-])=O)=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O |w:24.26,c:7,t:10| Show InChI InChI=1S/C26H25N3O10S/c1-15-21(25(31)38-13-12-37-3)23(17-8-4-6-10-19(17)29(33)34)22(16(2)27-15)26(32)39-14-28-24(30)18-9-5-7-11-20(18)40(28,35)36/h4-11,23,32H,12-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002607 (4-(2,3-Dichloro-phenyl)-2,6-dimethyl-1,4-dihydro-p...) Show SMILES COC(=O)C1C(C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)=C(C)N=C1C)c1cccc(Cl)c1Cl |c:27,t:24| Show InChI InChI=1S/C24H20Cl2N2O7S/c1-12-18(23(30)34-3)20(15-8-6-9-16(25)21(15)26)19(13(2)27-12)24(31)35-11-28-22(29)14-7-4-5-10-17(14)36(28,32)33/h4-10,18,20H,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002600 (2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC1=NC(C)=C(C(C1=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O)c1cccc(c1)[N+]([O-])=O)C(=[OH+])OC(C)(C)C |w:8.9,c:4,t:1| Show InChI InChI=1S/C27H27N3O9S/c1-15-21(25(32)38-14-29-24(31)19-11-6-7-12-20(19)40(29,36)37)23(17-9-8-10-18(13-17)30(34)35)22(16(2)28-15)26(33)39-27(3,4)5/h6-13,23,32H,14H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002643 (4-(2-Chloro-phenyl)-2,6-dimethyl-1,4-dihydro-pyrid...) Show SMILES CC1=NC(C)=C(C(C1C(=O)OCC1CCCO1)c1ccccc1Cl)C(=O)OCN1C(=O)c2ccccc2S1(=O)=O |c:4,t:1| Show InChI InChI=1S/C28H27ClN2O8S/c1-16-23(27(33)38-14-18-8-7-13-37-18)25(19-9-3-5-11-21(19)29)24(17(2)30-16)28(34)39-15-31-26(32)20-10-4-6-12-22(20)40(31,35)36/h3-6,9-12,18,23,25H,7-8,13-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002635 (2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC1=NC(C)=C(C(C1=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O)c1cccc(c1)[N+]([O-])=O)C(=[OH+])OCC1CCCCO1 |w:8.9,c:4,t:1| Show InChI InChI=1S/C29H29N3O10S/c1-17-24(28(34)41-15-21-10-5-6-13-40-21)26(19-8-7-9-20(14-19)32(36)37)25(18(2)30-17)29(35)42-16-31-27(33)22-11-3-4-12-23(22)43(31,38)39/h3-4,7-9,11-12,14,21,26,35H,5-6,10,13,15-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002621 (2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES COC(=[OH+])C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O |w:21.23,c:4,t:7| Show InChI InChI=1S/C24H21N3O9S/c1-13-19(23(29)35-3)21(15-7-6-8-16(11-15)27(31)32)20(14(2)25-13)24(30)36-12-26-22(28)17-9-4-5-10-18(17)37(26,33)34/h4-11,21,30H,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002580 (2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC1=NC(C)=C(C(C1=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1[N+]([O-])=O)C(=[OH+])OCC1CCCCO1 |w:8.9,c:4,t:1| Show InChI InChI=1S/C29H29N3O10S/c1-17-24(28(34)41-15-19-9-7-8-14-40-19)26(20-10-3-5-12-22(20)32(36)37)25(18(2)30-17)29(35)42-16-31-27(33)21-11-4-6-13-23(21)43(31,38)39/h3-6,10-13,19,26,35H,7-9,14-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002631 (2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC1=NC(C)=C(C(C1=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O)c1cccc(c1)[N+]([O-])=O)C(=[OH+])OCC1CCCO1 |w:8.9,c:4,t:1| Show InChI InChI=1S/C28H27N3O10S/c1-16-23(27(33)40-14-20-9-6-12-39-20)25(18-7-5-8-19(13-18)31(35)36)24(17(2)29-16)28(34)41-15-30-26(32)21-10-3-4-11-22(21)42(30,37)38/h3-5,7-8,10-11,13,20,25,34H,6,9,12,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002589 (2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccccc1[N+]([O-])=O)=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O |w:21.23,c:4,t:7| Show InChI InChI=1S/C24H21N3O9S/c1-13-19(23(29)35-3)21(15-8-4-6-10-17(15)27(31)32)20(14(2)25-13)24(30)36-12-26-22(28)16-9-5-7-11-18(16)37(26,33)34/h4-11,21,30H,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002604 (2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC1=NC(C)=C(C(C1=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1[N+]([O-])=O)C(=[OH+])OCC1CCCO1 |w:8.9,c:4,t:1| Show InChI InChI=1S/C28H27N3O10S/c1-16-23(27(33)40-14-18-8-7-13-39-18)25(19-9-3-5-11-21(19)31(35)36)24(17(2)29-16)28(34)41-15-30-26(32)20-10-4-6-12-22(20)42(30,37)38/h3-6,9-12,18,25,34H,7-8,13-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50002637 (2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CCCOC(=[OH+])C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O |w:23.25,c:6,t:9| Show InChI InChI=1S/C26H25N3O9S/c1-4-12-37-25(31)21-15(2)27-16(3)22(23(21)17-8-7-9-18(13-17)29(33)34)26(32)38-14-28-24(30)19-10-5-6-11-20(19)39(28,35)36/h5-11,13,23,32H,4,12,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50166208 (Bisquinolinium derivative | CHEMBL191595) Show SMILES C\[N+](c1ccccc1)=c1\ccn(Cc2cccc(c2)-c2cccc(Cn3cc\c(=[N+](/C)c4ccccc4)c4ccccc34)c2)c2ccccc12 Show InChI InChI=1S/C46H40N4/c1-47(39-19-5-3-6-20-39)43-27-29-49(45-25-11-9-23-41(43)45)33-35-15-13-17-37(31-35)38-18-14-16-36(32-38)34-50-30-28-44(42-24-10-12-26-46(42)50)48(2)40-21-7-4-8-22-40/h3-32H,33-34H2,1-2H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Ex vivo inhibitory concentration against human choline kinase				J Med Chem 48: 3354-63 (2005) Article DOI: 10.1021/jm049061o BindingDB Entry DOI: 10.7270/Q2WD403P
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50154646 (4N-methyl-4N-phenyl-1-{3-[3-(4-methylanilino-1-pyr...) Show SMILES C[N+](c1ccccc1)=c1ccn(Cc2cccc(c2)-c2cccc(Cn3ccc(cc3)=[N+](C)c3ccccc3)c2)cc1 |(-11.04,1.1,;-9.69,1.83,;-9.62,3.35,;-8.27,4.07,;-8.2,5.61,;-9.5,6.44,;-10.86,5.71,;-10.92,4.17,;-8.39,1.01,;-8.44,-.53,;-7.12,-1.35,;-5.76,-.64,;-4.22,-.61,;-3.44,-1.95,;-4.2,-3.28,;-3.44,-4.62,;-1.9,-4.62,;-1.13,-3.28,;-1.9,-1.95,;.41,-3.28,;1.18,-4.62,;2.71,-4.62,;3.48,-3.28,;2.71,-1.94,;3.48,-.6,;5,-.6,;5.78,-1.93,;7.32,-1.93,;8.09,-.58,;7.3,.76,;5.75,.74,;9.63,-.58,;10.41,-1.91,;10.39,.76,;11.91,.76,;12.65,2.07,;11.9,3.39,;10.36,3.37,;9.61,2.04,;1.17,-1.95,;-5.7,.89,;-7.02,1.73,)| Show InChI InChI=1S/C38H36N4/c1-39(35-15-5-3-6-16-35)37-19-23-41(24-20-37)29-31-11-9-13-33(27-31)34-14-10-12-32(28-34)30-42-25-21-38(22-26-42)40(2)36-17-7-4-8-18-36/h3-28H,29-30H2,1-2H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Grenada Curated by ChEMBL					Assay Description Inhibitory activity against human choline kinase enzyme				J Med Chem 47: 5433-40 (2004) Article DOI: 10.1021/jm0496537 BindingDB Entry DOI: 10.7270/Q22V2FM2
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50166185 (Bisquinolinium derivative | CHEMBL372667) Show SMILES C(c1cccc(c1)-c1cccc(Cn2ccc(=[N+]3CCCCCC3)c3ccccc23)c1)n1ccc(=[N+]2CCCCCC2)c2ccccc12 |(-4.01,-2.08,;-2.68,-2.85,;-3.45,-4.18,;-2.7,-5.51,;-1.16,-5.53,;-.37,-4.18,;-1.14,-2.85,;1.15,-4.18,;1.92,-5.51,;3.46,-5.51,;4.23,-4.18,;3.46,-2.85,;4.74,-2.01,;4.67,-.47,;3.31,.23,;3.25,1.79,;4.55,2.61,;4.48,4.15,;5.84,4.88,;6.11,6.41,;5.09,7.54,;3.55,7.47,;2.64,6.25,;3.06,4.75,;5.91,1.89,;7.21,2.72,;8.57,2.01,;8.64,.47,;7.35,-.36,;5.98,.35,;1.92,-2.85,;-4.01,-.54,;-2.68,.23,;-2.7,1.77,;-4.03,2.54,;-4.05,4.08,;-2.66,4.76,;-2.35,6.27,;-3.33,7.46,;-4.85,7.44,;-5.8,6.22,;-5.43,4.73,;-5.36,1.77,;-6.69,2.52,;-8.02,1.75,;-8.02,.2,;-6.69,-.57,;-5.36,.21,)| Show InChI InChI=1S/C44H48N4/c1-2-10-26-45(25-9-1)43-23-29-47(41-21-7-5-19-39(41)43)33-35-15-13-17-37(31-35)38-18-14-16-36(32-38)34-48-30-24-44(40-20-6-8-22-42(40)48)46-27-11-3-4-12-28-46/h5-8,13-24,29-32H,1-4,9-12,25-28,33-34H2/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Ex vivo inhibitory concentration against human choline kinase				J Med Chem 48: 3354-63 (2005) Article DOI: 10.1021/jm049061o BindingDB Entry DOI: 10.7270/Q2WD403P
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50166194 (Bisquinolinium derivative | CHEMBL363853) Show SMILES C(Cc1ccc(Cn2ccc(=[N+]3CCCCCC3)c3ccccc23)cc1)c1ccc(Cn2ccc(=[N+]3CCCCCC3)c3ccccc23)cc1 |(3.57,-5.32,;2.82,-3.97,;1.28,-3.94,;.54,-2.6,;-1,-2.57,;-1.8,-3.87,;-3.21,-3.27,;-3.4,-1.73,;-2.16,-.82,;-2.35,.72,;-3.76,1.32,;-3.96,2.86,;-5.4,3.35,;-5.94,4.82,;-5.15,6.13,;-3.61,6.31,;-2.5,5.24,;-2.65,3.7,;-4.98,.41,;-6.41,1,;-7.64,.09,;-7.46,-1.45,;-6.04,-2.06,;-4.81,-1.13,;-1.07,-5.23,;.47,-5.26,;5.11,-5.35,;5.84,-6.7,;7.38,-6.73,;8.17,-5.41,;9.49,-4.62,;9.46,-3.08,;8.1,-2.34,;8.07,-.78,;9.39,.02,;9.34,1.56,;7.95,2.19,;7.57,3.68,;8.49,4.91,;10.03,4.95,;11.02,3.77,;10.73,2.26,;10.73,-.73,;12.05,.06,;13.4,-.66,;13.44,-2.22,;12.12,-3.02,;10.76,-2.27,;7.43,-4.06,;5.89,-4.04,)| Show InChI InChI=1S/C46H52N4/c1-2-10-30-47(29-9-1)45-27-33-49(43-15-7-5-13-41(43)45)35-39-23-19-37(20-24-39)17-18-38-21-25-40(26-22-38)36-50-34-28-46(42-14-6-8-16-44(42)50)48-31-11-3-4-12-32-48/h5-8,13-16,19-28,33-34H,1-4,9-12,17-18,29-32,35-36H2/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Ex vivo inhibitory concentration against human choline kinase				J Med Chem 48: 3354-63 (2005) Article DOI: 10.1021/jm049061o BindingDB Entry DOI: 10.7270/Q2WD403P
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50250903 ((5Z,9Z)-5,9-heptacosadienoic acid | CHEMBL463437) Show SMILES CCCCCCCCCCCCCCCCC\C=C/CC\C=C/CCCC(O)=O Show InChI InChI=1S/C27H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h18-19,22-23H,2-17,20-21,24-26H2,1H3,(H,28,29)/b19-18-,23-22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Puerto Rico Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 1				J Nat Prod 65: 1715-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7HFB
					More data for this Ligand-Target Pair

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