Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'schweitzer' and Initial = 'ba'   

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
Imidazoleglycerol-phosphate dehydratase (Cryptococcus neoformans)	BDBM50079743 ((2-Hydroxy-3-[1,2,4]triazol-1-yl-propyl)-phosphoni...) Show SMILES OP(O)(O)CC(=O)Cn1cncn1 Show InChI InChI=1S/C5H10N3O4P/c9-5(2-13(10,11)12)1-8-4-6-3-7-8/h3-4,10-13H,1-2H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monsanto Company Curated by ChEMBL					Assay Description Binding affinity imidazole glycerol phosphate dehydratase (IGPD) obtained from Cryptococcus neoformans				Bioorg Med Chem Lett 9: 2053-8 (1999) BindingDB Entry DOI: 10.7270/Q29P30T6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302437 (3-(3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-eth...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H30N6O4S/c1-2-22-18-23-25(31-28(32-26(23)40-22)33-29(39)30-13-12-24(36)37)34-14-16-35(17-15-34)27(38)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,36,37)(H2,30,31,32,33,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302449 ((2R,5S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...) Show SMILES CCc1cc2c(nc(nc2s1)N1[C@H](CC[C@H]1C(N)=O)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H33N7O3S/c1-2-22-18-23-28(34-31(35-29(23)42-22)38-24(26(32)39)12-13-25(38)27(33)40)36-14-16-37(17-15-36)30(41)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,24-25H,2,12-17H2,1H3,(H2,32,39)(H2,33,40)/t24-,25+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302452 ((2S,4S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...) Show SMILES CCc1cc2c(nc(nc2s1)N1C[C@@H](O)C[C@H]1C(O)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C30H31N5O4S/c1-2-23-17-24-26(31-30(32-27(24)40-23)35-18-22(36)16-25(35)29(38)39)33-12-14-34(15-13-33)28(37)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17,22,25,36H,2,12-16,18H2,1H3,(H,38,39)/t22-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302457 (3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylt...) Show SMILES CCc1cc2c(nc(NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H29N5O3S/c1-2-22-18-23-25(30-28(31-26(23)37-22)29-13-12-24(34)35)32-14-16-33(17-15-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,34,35)(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302437 (3-(3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-eth...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H30N6O4S/c1-2-22-18-23-25(31-28(32-26(23)40-22)33-29(39)30-13-12-24(36)37)34-14-16-35(17-15-34)27(38)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,36,37)(H2,30,31,32,33,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
Imidazoleglycerol-phosphate dehydratase (Cryptococcus neoformans)	BDBM50079745 ((2-Amino-3-[1,2,4]triazol-1-yl-propyl)-phosphonic ...) Show SMILES NC(Cn1cncn1)CP(O)(O)=O Show InChI InChI=1S/C5H11N4O3P/c6-5(2-13(10,11)12)1-9-4-7-3-8-9/h3-5H,1-2,6H2,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monsanto Company Curated by ChEMBL					Assay Description Binding affinity imidazole glycerol phosphate dehydratase (IGPD) obtained from Cryptococcus neoformans				Bioorg Med Chem Lett 9: 2053-8 (1999) BindingDB Entry DOI: 10.7270/Q29P30T6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302459 ((R)-biphenyl-4-yl(4-(2-(2,3-dihydroxypropylamino)-...) Show SMILES CCc1cc2c(nc(NC[C@@H](O)CO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H31N5O3S/c1-2-23-16-24-25(30-28(31-26(24)37-23)29-17-22(35)18-34)32-12-14-33(15-13-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34-35H,2,12-15,17-18H2,1H3,(H,29,30,31)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302449 ((2R,5S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...) Show SMILES CCc1cc2c(nc(nc2s1)N1[C@H](CC[C@H]1C(N)=O)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H33N7O3S/c1-2-22-18-23-28(34-31(35-29(23)42-22)38-24(26(32)39)12-13-25(38)27(33)40)36-14-16-37(17-15-36)30(41)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,24-25H,2,12-17H2,1H3,(H2,32,39)(H2,33,40)/t24-,25+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302451 (CHEMBL568566 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...) Show SMILES CCc1cc2c(nc(nc2s1)N1CC(O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H29N5O2S/c1-2-23-16-24-25(29-28(30-26(24)36-23)33-17-22(34)18-33)31-12-14-32(15-13-31)27(35)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34H,2,12-15,17-18H2,1H3	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302434 (CHEMBL585852 | biphenyl-4-yl(4-(6-ethylthieno[2,3-...) Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H24N4OS/c1-2-21-16-22-23(26-17-27-24(22)31-21)28-12-14-29(15-13-28)25(30)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,16-17H,2,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302453 (1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylt...) Show SMILES CCc1cc2c(nc(nc2s1)N1CCCC(C1)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C31H34N6O2S/c1-2-25-19-26-28(33-31(34-29(26)40-25)37-14-6-9-24(20-37)27(32)38)35-15-17-36(18-16-35)30(39)23-12-10-22(11-13-23)21-7-4-3-5-8-21/h3-5,7-8,10-13,19,24H,2,6,9,14-18,20H2,1H3,(H2,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302452 ((2S,4S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...) Show SMILES CCc1cc2c(nc(nc2s1)N1C[C@@H](O)C[C@H]1C(O)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C30H31N5O4S/c1-2-23-17-24-26(31-30(32-27(24)40-23)35-18-22(36)16-25(35)29(38)39)33-12-14-34(15-13-33)28(37)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17,22,25,36H,2,12-16,18H2,1H3,(H,38,39)/t22-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302458 (CHEMBL585948 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...) Show SMILES CCc1cc2c(nc(nc2s1)N1CCC(O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H31N5O2S/c1-2-24-18-25-26(30-29(31-27(25)37-24)34-13-12-23(35)19-34)32-14-16-33(17-15-32)28(36)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,18,23,35H,2,12-17,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302446 (3-(3-(6-ethyl-4-(4-isobutyrylpiperazin-1-yl)thieno...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)C(C)C Show InChI InChI=1S/C20H28N6O4S/c1-4-13-11-14-16(25-7-9-26(10-8-25)18(29)12(2)3)22-19(23-17(14)31-13)24-20(30)21-6-5-15(27)28/h11-12H,4-10H2,1-3H3,(H,27,28)(H2,21,22,23,24,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302444 (3-(3-(6-ethyl-4-(4-(5-phenylpicolinoyl)piperazin-1...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cn1)-c1ccccc1 Show InChI InChI=1S/C28H29N7O4S/c1-2-20-16-21-24(31-27(32-25(21)40-20)33-28(39)29-11-10-23(36)37)34-12-14-35(15-13-34)26(38)22-9-8-19(17-30-22)18-6-4-3-5-7-18/h3-9,16-17H,2,10-15H2,1H3,(H,36,37)(H2,29,31,32,33,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302454 (CHEMBL565618 | biphenyl-4-yl(4-(6-ethyl-2-(2-hydro...) Show SMILES CCc1cc2c(nc(NCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H29N5O2S/c1-2-22-18-23-24(29-27(28-12-17-33)30-25(23)35-22)31-13-15-32(16-14-31)26(34)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,33H,2,12-17H2,1H3,(H,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302446 (3-(3-(6-ethyl-4-(4-isobutyrylpiperazin-1-yl)thieno...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)C(C)C Show InChI InChI=1S/C20H28N6O4S/c1-4-13-11-14-16(25-7-9-26(10-8-25)18(29)12(2)3)22-19(23-17(14)31-13)24-20(30)21-6-5-15(27)28/h11-12H,4-10H2,1-3H3,(H,27,28)(H2,21,22,23,24,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302441 (3-(3-(4-(4-(2-(3,4-difluorophenyl)acetyl)piperazin...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)Cc1ccc(F)c(F)c1 Show InChI InChI=1S/C24H26F2N6O4S/c1-2-15-13-16-21(28-23(29-22(16)37-15)30-24(36)27-6-5-20(34)35)32-9-7-31(8-10-32)19(33)12-14-3-4-17(25)18(26)11-14/h3-4,11,13H,2,5-10,12H2,1H3,(H,34,35)(H2,27,28,29,30,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302459 ((R)-biphenyl-4-yl(4-(2-(2,3-dihydroxypropylamino)-...) Show SMILES CCc1cc2c(nc(NC[C@@H](O)CO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H31N5O3S/c1-2-23-16-24-25(30-28(31-26(24)37-23)29-17-22(35)18-34)32-12-14-33(15-13-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34-35H,2,12-15,17-18H2,1H3,(H,29,30,31)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302450 (CHEMBL585317 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...) Show SMILES CCc1cc2c(nc(NCCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H31N5O2S/c1-2-23-19-24-25(30-28(29-13-6-18-34)31-26(24)36-23)32-14-16-33(17-15-32)27(35)22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12,19,34H,2,6,13-18H2,1H3,(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
Imidazoleglycerol-phosphate dehydratase (Cryptococcus neoformans)	BDBM50079721 (CHEMBL60155 | [2-(2-Phenoxy-acetylamino)-3-[1,2,4]...) Show SMILES OP(O)(=O)CC(Cn1cncn1)NC(=O)COc1ccccc1 Show InChI InChI=1S/C13H17N4O5P/c18-13(7-22-12-4-2-1-3-5-12)16-11(8-23(19,20)21)6-17-10-14-9-15-17/h1-5,9-11H,6-8H2,(H,16,18)(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monsanto Company Curated by ChEMBL					Assay Description Binding affinity imidazole glycerol phosphate dehydratase (IGPD) obtained from Cryptococcus neoformans				Bioorg Med Chem Lett 9: 2053-8 (1999) BindingDB Entry DOI: 10.7270/Q29P30T6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302457 (3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylt...) Show SMILES CCc1cc2c(nc(NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H29N5O3S/c1-2-22-18-23-25(30-28(31-26(23)37-22)29-13-12-24(34)35)32-14-16-33(17-15-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,34,35)(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302432 (CHEMBL566447 | naphthalen-1-yl 4-(6-ethylthieno[2,...) Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)Oc1cccc2ccccc12 Show InChI InChI=1S/C23H22N4O2S/c1-2-17-14-19-21(24-15-25-22(19)30-17)26-10-12-27(13-11-26)23(28)29-20-9-5-7-16-6-3-4-8-18(16)20/h3-9,14-15H,2,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302441 (3-(3-(4-(4-(2-(3,4-difluorophenyl)acetyl)piperazin...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)Cc1ccc(F)c(F)c1 Show InChI InChI=1S/C24H26F2N6O4S/c1-2-15-13-16-21(28-23(29-22(16)37-15)30-24(36)27-6-5-20(34)35)32-9-7-31(8-10-32)19(33)12-14-3-4-17(25)18(26)11-14/h3-4,11,13H,2,5-10,12H2,1H3,(H,34,35)(H2,27,28,29,30,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302444 (3-(3-(6-ethyl-4-(4-(5-phenylpicolinoyl)piperazin-1...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cn1)-c1ccccc1 Show InChI InChI=1S/C28H29N7O4S/c1-2-20-16-21-24(31-27(32-25(21)40-20)33-28(39)29-11-10-23(36)37)34-12-14-35(15-13-34)26(38)22-9-8-19(17-30-22)18-6-4-3-5-7-18/h3-9,16-17H,2,10-15H2,1H3,(H,36,37)(H2,29,31,32,33,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302454 (CHEMBL565618 | biphenyl-4-yl(4-(6-ethyl-2-(2-hydro...) Show SMILES CCc1cc2c(nc(NCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H29N5O2S/c1-2-22-18-23-24(29-27(28-12-17-33)30-25(23)35-22)31-13-15-32(16-14-31)26(34)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,33H,2,12-17H2,1H3,(H,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302442 (3-(3-(6-ethyl-4-(4-(3,3,3-trifluoropropanoyl)piper...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)CC(F)(F)F Show InChI InChI=1S/C19H23F3N6O4S/c1-2-11-9-12-15(28-7-5-27(6-8-28)13(29)10-19(20,21)22)24-17(25-16(12)33-11)26-18(32)23-4-3-14(30)31/h9H,2-8,10H2,1H3,(H,30,31)(H2,23,24,25,26,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302442 (3-(3-(6-ethyl-4-(4-(3,3,3-trifluoropropanoyl)piper...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)CC(F)(F)F Show InChI InChI=1S/C19H23F3N6O4S/c1-2-11-9-12-15(28-7-5-27(6-8-28)13(29)10-19(20,21)22)24-17(25-16(12)33-11)26-18(32)23-4-3-14(30)31/h9H,2-8,10H2,1H3,(H,30,31)(H2,23,24,25,26,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302443 (3-(3-(6-ethyl-4-(4-(2-(3-methoxyphenoxy)acetyl)pip...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)COc1cccc(OC)c1 Show InChI InChI=1S/C25H30N6O6S/c1-3-18-14-19-22(27-24(28-23(19)38-18)29-25(35)26-8-7-21(33)34)31-11-9-30(10-12-31)20(32)15-37-17-6-4-5-16(13-17)36-2/h4-6,13-14H,3,7-12,15H2,1-2H3,(H,33,34)(H2,26,27,28,29,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302453 (1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylt...) Show SMILES CCc1cc2c(nc(nc2s1)N1CCCC(C1)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C31H34N6O2S/c1-2-25-19-26-28(33-31(34-29(26)40-25)37-14-6-9-24(20-37)27(32)38)35-15-17-36(18-16-35)30(39)23-12-10-22(11-13-23)21-7-4-3-5-8-21/h3-5,7-8,10-13,19,24H,2,6,9,14-18,20H2,1H3,(H2,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302438 (3-(3-(6-ethyl-4-(4-(3-phenoxypropanoyl)piperazin-1...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)CCOc1ccccc1 Show InChI InChI=1S/C25H30N6O5S/c1-2-18-16-19-22(27-24(28-23(19)37-18)29-25(35)26-10-8-21(33)34)31-13-11-30(12-14-31)20(32)9-15-36-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3,(H,33,34)(H2,26,27,28,29,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302447 (3-(3-(6-ethyl-4-(4-(2-phenylacetyl)piperazin-1-yl)...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C24H28N6O4S/c1-2-17-15-18-21(26-23(27-22(18)35-17)28-24(34)25-9-8-20(32)33)30-12-10-29(11-13-30)19(31)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,32,33)(H2,25,26,27,28,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
Imidazoleglycerol-phosphate dehydratase (Cryptococcus neoformans)	BDBM50079723 (CHEMBL418642 | [2-(2-Phenoxy-propionylamino)-3-[1,...) Show SMILES CC(Oc1ccccc1)C(=O)NC(Cn1cncn1)CP(O)(O)=O Show InChI InChI=1S/C14H19N4O5P/c1-11(23-13-5-3-2-4-6-13)14(19)17-12(8-24(20,21)22)7-18-10-15-9-16-18/h2-6,9-12H,7-8H2,1H3,(H,17,19)(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monsanto Company Curated by ChEMBL					Assay Description Binding affinity imidazole glycerol phosphate dehydratase (IGPD) obtained from Cryptococcus neoformans				Bioorg Med Chem Lett 9: 2053-8 (1999) BindingDB Entry DOI: 10.7270/Q29P30T6
					More data for this Ligand-Target Pair
Imidazoleglycerol-phosphate dehydratase (Cryptococcus neoformans)	BDBM50079733 (CHEMBL303762 | [2-(2-Hydroxy-acetylamino)-3-[1,2,4...) Show SMILES OCC(=O)NC(Cn1cncn1)CP(O)(O)=O Show InChI InChI=1S/C7H13N4O5P/c12-2-7(13)10-6(3-17(14,15)16)1-11-5-8-4-9-11/h4-6,12H,1-3H2,(H,10,13)(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monsanto Company Curated by ChEMBL					Assay Description Binding affinity imidazole glycerol phosphate dehydratase (IGPD) obtained from Cryptococcus neoformans				Bioorg Med Chem Lett 9: 2053-8 (1999) BindingDB Entry DOI: 10.7270/Q29P30T6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302447 (3-(3-(6-ethyl-4-(4-(2-phenylacetyl)piperazin-1-yl)...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C24H28N6O4S/c1-2-17-15-18-21(26-23(27-22(18)35-17)28-24(34)25-9-8-20(32)33)30-12-10-29(11-13-30)19(31)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,32,33)(H2,25,26,27,28,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302456 ((4-(2-(4-aminopiperidin-1-yl)-6-ethylthieno[2,3-d]...) Show SMILES CCc1cc2c(nc(nc2s1)N1CCC(N)CC1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C30H34N6OS/c1-2-25-20-26-27(32-30(33-28(26)38-25)36-14-12-24(31)13-15-36)34-16-18-35(19-17-34)29(37)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20,24H,2,12-19,31H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302458 (CHEMBL585948 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...) Show SMILES CCc1cc2c(nc(nc2s1)N1CCC(O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H31N5O2S/c1-2-24-18-25-26(30-29(31-27(25)37-24)34-13-12-23(35)19-34)32-14-16-33(17-15-32)28(36)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,18,23,35H,2,12-17,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	241	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
Imidazoleglycerol-phosphate dehydratase (Cryptococcus neoformans)	BDBM50079740 (CHEMBL62933 | [2-(2-Phenylsulfanyl-acetylamino)-3-...) Show SMILES OP(O)(=O)CC(Cn1cncn1)NC(=O)CSc1ccccc1 Show InChI InChI=1S/C13H17N4O4PS/c18-13(8-23-12-4-2-1-3-5-12)16-11(7-22(19,20)21)6-17-10-14-9-15-17/h1-5,9-11H,6-8H2,(H,16,18)(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monsanto Company Curated by ChEMBL					Assay Description Binding affinity imidazole glycerol phosphate dehydratase (IGPD) obtained from Cryptococcus neoformans				Bioorg Med Chem Lett 9: 2053-8 (1999) BindingDB Entry DOI: 10.7270/Q29P30T6
					More data for this Ligand-Target Pair
Imidazoleglycerol-phosphate dehydratase (Cryptococcus neoformans)	BDBM50079729 (CHEMBL423851 | [2-(3-Phenyl-propionylamino)-3-[1,2...) Show SMILES OP(O)(=O)CC(Cn1cncn1)NC(=O)CCc1ccccc1 Show InChI InChI=1S/C14H19N4O4P/c19-14(7-6-12-4-2-1-3-5-12)17-13(9-23(20,21)22)8-18-11-15-10-16-18/h1-5,10-11,13H,6-9H2,(H,17,19)(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monsanto Company Curated by ChEMBL					Assay Description Binding affinity imidazole glycerol phosphate dehydratase (IGPD) obtained from Cryptococcus neoformans				Bioorg Med Chem Lett 9: 2053-8 (1999) BindingDB Entry DOI: 10.7270/Q29P30T6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302440 (3-(3-(6-ethyl-4-(4-propionylpiperazin-1-yl)thieno[...) Show SMILES CCC(=O)N1CCN(CC1)c1nc(NC(=O)NCCC(O)=O)nc2sc(CC)cc12 Show InChI InChI=1S/C19H26N6O4S/c1-3-12-11-13-16(25-9-7-24(8-10-25)14(26)4-2)21-18(22-17(13)30-12)23-19(29)20-6-5-15(27)28/h11H,3-10H2,1-2H3,(H,27,28)(H2,20,21,22,23,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302451 (CHEMBL568566 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...) Show SMILES CCc1cc2c(nc(nc2s1)N1CC(O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H29N5O2S/c1-2-23-16-24-25(29-28(30-26(24)36-23)33-17-22(34)18-33)31-12-14-32(15-13-31)27(35)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34H,2,12-15,17-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	297	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302456 ((4-(2-(4-aminopiperidin-1-yl)-6-ethylthieno[2,3-d]...) Show SMILES CCc1cc2c(nc(nc2s1)N1CCC(N)CC1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C30H34N6OS/c1-2-25-20-26-27(32-30(33-28(26)38-25)36-14-12-24(31)13-15-36)34-16-18-35(19-17-34)29(37)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20,24H,2,12-19,31H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
Imidazoleglycerol-phosphate dehydratase (Cryptococcus neoformans)	BDBM50079746 ((2-Phenylacetylamino-3-[1,2,4]triazol-1-yl-propyl)...) Show SMILES OP(O)(=O)CC(Cn1cncn1)NC(=O)Cc1ccccc1 Show InChI InChI=1S/C13H17N4O4P/c18-13(6-11-4-2-1-3-5-11)16-12(8-22(19,20)21)7-17-10-14-9-15-17/h1-5,9-10,12H,6-8H2,(H,16,18)(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monsanto Company Curated by ChEMBL					Assay Description Inhibitory concentration against imidazole glycerol phosphate dehydratase (IGPD) from Cryptococcus neoformans				Bioorg Med Chem Lett 9: 2053-8 (1999) BindingDB Entry DOI: 10.7270/Q29P30T6
					More data for this Ligand-Target Pair
Imidazoleglycerol-phosphate dehydratase (Cryptococcus neoformans)	BDBM50079735 ((2-Hexanoylamino-3-[1,2,4]triazol-1-yl-propyl)-pho...) Show SMILES CCCCCC(=O)NC(Cn1cncn1)CP(O)(O)=O Show InChI InChI=1S/C11H21N4O4P/c1-2-3-4-5-11(16)14-10(7-20(17,18)19)6-15-9-12-8-13-15/h8-10H,2-7H2,1H3,(H,14,16)(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monsanto Company Curated by ChEMBL					Assay Description Inhibitory concentration against imidazole glycerol phosphate dehydratase (IGPD) from Cryptococcus neoformans				Bioorg Med Chem Lett 9: 2053-8 (1999) BindingDB Entry DOI: 10.7270/Q29P30T6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302440 (3-(3-(6-ethyl-4-(4-propionylpiperazin-1-yl)thieno[...) Show SMILES CCC(=O)N1CCN(CC1)c1nc(NC(=O)NCCC(O)=O)nc2sc(CC)cc12 Show InChI InChI=1S/C19H26N6O4S/c1-3-12-11-13-16(25-9-7-24(8-10-25)14(26)4-2)21-18(22-17(13)30-12)23-19(29)20-6-5-15(27)28/h11H,3-10H2,1-2H3,(H,27,28)(H2,20,21,22,23,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	367	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302439 (3-(3-(4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C18H24N6O4S/c1-3-12-10-13-15(24-8-6-23(7-9-24)11(2)25)20-17(21-16(13)29-12)22-18(28)19-5-4-14(26)27/h10H,3-9H2,1-2H3,(H,26,27)(H2,19,20,21,22,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302448 (CHEMBL566037 | biphenyl-4-yl(4-(6-ethyl-2-(piperaz...) Show SMILES CCc1cc2c(nc(nc2s1)N1CCNCC1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H32N6OS/c1-2-24-20-25-26(31-29(32-27(25)37-24)35-14-12-30-13-15-35)33-16-18-34(19-17-33)28(36)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20,30H,2,12-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	397	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302448 (CHEMBL566037 | biphenyl-4-yl(4-(6-ethyl-2-(piperaz...) Show SMILES CCc1cc2c(nc(nc2s1)N1CCNCC1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H32N6OS/c1-2-24-20-25-26(31-29(32-27(25)37-24)35-14-12-30-13-15-35)33-16-18-34(19-17-33)28(36)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20,30H,2,12-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302450 (CHEMBL585317 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...) Show SMILES CCc1cc2c(nc(NCCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H31N5O2S/c1-2-23-19-24-25(30-28(29-13-6-18-34)31-26(24)36-23)32-14-16-33(17-15-32)27(35)22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12,19,34H,2,6,13-18H2,1H3,(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	441	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair

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