Compile Data Set for Download or QSAR

Found 230 hits with Last Name = 'kraus' and Initial = 'kg'   

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 2A (Homo sapiens (Human))	BDBM50277957 ((R)-3-((2',4'-difluorobiphenyl-4-yl)methyl)-5-meth...) Show SMILES C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1 |r| Show InChI InChI=1S/C17H15F2NO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)15-7-6-14(18)8-16(15)19/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	323	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 5HT2A receptor				Bioorg Med Chem Lett 19: 2524-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.032 BindingDB Entry DOI: 10.7270/Q2F18ZK7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50277955 ((R)-3-((3'-chloro-4'-fluorobiphenyl-4-yl)methyl)-5...) Show SMILES C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)c(Cl)c2)C(=O)O1 |r| Show InChI InChI=1S/C17H15ClFNO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)14-6-7-16(19)15(18)8-14/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+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 5HT2A receptor				Bioorg Med Chem Lett 19: 2524-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.032 BindingDB Entry DOI: 10.7270/Q2F18ZK7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50278009 ((R)-3-((6-(3,4-difluorophenyl)pyridin-3-yl)methyl)...) Show SMILES C[C@@H]1CN(Cc2ccc(nc2)-c2ccc(F)c(F)c2)C(=O)O1 |r| Show InChI InChI=1S/C16H14F2N2O2/c1-10-8-20(16(21)22-10)9-11-2-5-15(19-7-11)12-3-4-13(17)14(18)6-12/h2-7,10H,8-9H2,1H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.10E+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 5HT2A receptor				Bioorg Med Chem Lett 19: 2524-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.032 BindingDB Entry DOI: 10.7270/Q2F18ZK7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50278007 ((R)-3-((6-(2-fluoro-4-(trifluoromethoxy)phenyl)pyr...) Show SMILES C[C@@H]1CN(Cc2ccc(nc2)-c2ccc(OC(F)(F)F)cc2F)C(=O)O1 |r| Show InChI InChI=1S/C17H14F4N2O3/c1-10-8-23(16(24)25-10)9-11-2-5-15(22-7-11)13-4-3-12(6-14(13)18)26-17(19,20)21/h2-7,10H,8-9H2,1H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>3.10E+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 5HT2A receptor				Bioorg Med Chem Lett 19: 2524-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.032 BindingDB Entry DOI: 10.7270/Q2F18ZK7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50277956 ((R)-3-((2'-fluoro-4'-(trifluoromethoxy)biphenyl-4-...) Show SMILES C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(OC(F)(F)F)cc2F)C(=O)O1 |r| Show InChI InChI=1S/C18H15F4NO3/c1-11-9-23(17(24)25-11)10-12-2-4-13(5-3-12)15-7-6-14(8-16(15)19)26-18(20,21)22/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.10E+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 5HT2A receptor				Bioorg Med Chem Lett 19: 2524-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.032 BindingDB Entry DOI: 10.7270/Q2F18ZK7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50277846 ((5R)-3-(4-(1-cyclohexylethoxy)benzyl)-5-methyloxaz...) Show SMILES CC(Oc1ccc(CN2C[C@@H](C)OC2=O)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C19H27NO3/c1-14-12-20(19(21)22-14)13-16-8-10-18(11-9-16)23-15(2)17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3/t14-,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.20E+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 5HT2A receptor				Bioorg Med Chem Lett 19: 2524-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.032 BindingDB Entry DOI: 10.7270/Q2F18ZK7
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104526 (3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)s1 Show InChI InChI=1S/C27H32N4O4S/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104531 (3-[3-((S)-1-{2-[3-Methoxy-4-(3-o-tolyl-ureido)-phe...) Show SMILES COc1cc(CC(=O)N[C@@H](CC(C)C)c2cc(CCC(O)=O)on2)ccc1NC(=O)Nc1ccccc1C Show InChI InChI=1S/C28H34N4O6/c1-17(2)13-23(24-16-20(38-32-24)10-12-27(34)35)29-26(33)15-19-9-11-22(25(14-19)37-4)31-28(36)30-21-8-6-5-7-18(21)3/h5-9,11,14,16-17,23H,10,12-13,15H2,1-4H3,(H,29,33)(H,34,35)(H2,30,31,36)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50344738 ((S)-2-chloro-5-(4-(2-hydroxy-3-methoxypropyl)-3,5-...) Show SMILES COC[C@@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O |r| Show InChI InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human LPS-stimulated monocytes assessed as inhibition of ATP-induced IL-1beta release by ELISA in presence of...				Bioorg Med Chem Lett 21: 3708-11 (2011) Article DOI: 10.1016/j.bmcl.2011.04.077 BindingDB Entry DOI: 10.7270/Q2B27VMG
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104531 (3-[3-((S)-1-{2-[3-Methoxy-4-(3-o-tolyl-ureido)-phe...) Show SMILES COc1cc(CC(=O)N[C@@H](CC(C)C)c2cc(CCC(O)=O)on2)ccc1NC(=O)Nc1ccccc1C Show InChI InChI=1S/C28H34N4O6/c1-17(2)13-23(24-16-20(38-32-24)10-12-27(34)35)29-26(33)15-19-9-11-22(25(14-19)37-4)31-28(36)30-21-8-6-5-7-18(21)3/h5-9,11,14,16-17,23H,10,12-13,15H2,1-4H3,(H,29,33)(H,34,35)(H2,30,31,36)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50344738 ((S)-2-chloro-5-(4-(2-hydroxy-3-methoxypropyl)-3,5-...) Show SMILES COC[C@@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O |r| Show InChI InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human LPS-stimulated monocytes assessed as inhibition of ATP-induced IL1-beta release by ELISA				Bioorg Med Chem Lett 21: 3708-11 (2011) Article DOI: 10.1016/j.bmcl.2011.04.077 BindingDB Entry DOI: 10.7270/Q2B27VMG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14775 (3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4D				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104529 ((S)-1-{2-[(S)-(R)-3-Carboxy-2-((S)-4-methyl-2-{2-[...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(O)=O Show InChI InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28+,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104530 (3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)o1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Mus musculus)	BDBM50470784 (CHEMBL282934) Show SMILES COc1ccc(cc1O[C@H]1CC2CCC1C2)-c1ccc(cc1)C(O)=O |TLB:8:9:15:13.12| Show InChI InChI=1S/C21H22O4/c1-24-18-9-8-16(14-4-6-15(7-5-14)21(22)23)12-20(18)25-19-11-13-2-3-17(19)10-13/h4-9,12-13,17,19H,2-3,10-11H2,1H3,(H,22,23)/t13?,17?,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]rolipram from mouse brain homogenates				J Med Chem 39: 120-5 (1996) Article DOI: 10.1021/jm9505066 BindingDB Entry DOI: 10.7270/Q20P12Q4
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Mus musculus)	BDBM50470788 (CHEMBL278386) Show SMILES COc1ccc(cc1O[C@@H]1CC2CCC1C2)-c1ccc(cc1)C(O)=O |TLB:8:9:15:13.12| Show InChI InChI=1S/C21H22O4/c1-24-18-9-8-16(14-4-6-15(7-5-14)21(22)23)12-20(18)25-19-11-13-2-3-17(19)10-13/h4-9,12-13,17,19H,2-3,10-11H2,1H3,(H,22,23)/t13?,17?,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]rolipram from mouse brain homogenates				J Med Chem 39: 120-5 (1996) Article DOI: 10.1021/jm9505066 BindingDB Entry DOI: 10.7270/Q20P12Q4
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM14775 (3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Mus musculus)	BDBM14361 ((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]rolipram from mouse brain homogenates				J Med Chem 39: 120-5 (1996) Article DOI: 10.1021/jm9505066 BindingDB Entry DOI: 10.7270/Q20P12Q4
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM14775 (3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4A				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50344738 ((S)-2-chloro-5-(4-(2-hydroxy-3-methoxypropyl)-3,5-...) Show SMILES COC[C@@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O |r| Show InChI InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced YOPRO-1 uptake				Bioorg Med Chem Lett 21: 3708-11 (2011) Article DOI: 10.1016/j.bmcl.2011.04.077 BindingDB Entry DOI: 10.7270/Q2B27VMG
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104529 ((S)-1-{2-[(S)-(R)-3-Carboxy-2-((S)-4-methyl-2-{2-[...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(O)=O Show InChI InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28+,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Mus musculus)	BDBM50470782 (CHEMBL280185) Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C23H21NO3/c1-26-21-11-10-19(15-6-8-16(9-7-15)23(24)25)14-22(21)27-20-12-17-4-2-3-5-18(17)13-20/h2-11,14,20H,12-13H2,1H3,(H2,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]rolipram from mouse brain homogenates				J Med Chem 39: 120-5 (1996) Article DOI: 10.1021/jm9505066 BindingDB Entry DOI: 10.7270/Q20P12Q4
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50202531 (9-cyclopentyl-5,6-dihydro-7-ethyl-3-(tert-butyl)-9...) Show SMILES CCc1nn(C2CCCC2)c-2c1CCn1c-2nnc1C(C)(C)C Show InChI InChI=1S/C18H27N5/c1-5-14-13-10-11-22-16(19-20-17(22)18(2,3)4)15(13)23(21-14)12-8-6-7-9-12/h12H,5-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104533 (3-[5-(2-Carboxy-ethyl)-3-((S)-3-methyl-1-{2-[4-(3-...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C1=NOC(CCC(O)=O)(CCC(O)=O)C1 |t:28| Show InChI InChI=1S/C30H38N4O7/c1-19(2)16-24(25-18-30(41-34-25,14-12-27(36)37)15-13-28(38)39)32-26(35)17-21-8-10-22(11-9-21)31-29(40)33-23-7-5-4-6-20(23)3/h4-11,19,24H,12-18H2,1-3H3,(H,32,35)(H,36,37)(H,38,39)(H2,31,33,40)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50202531 (9-cyclopentyl-5,6-dihydro-7-ethyl-3-(tert-butyl)-9...) Show SMILES CCc1nn(C2CCCC2)c-2c1CCn1c-2nnc1C(C)(C)C Show InChI InChI=1S/C18H27N5/c1-5-14-13-10-11-22-16(19-20-17(22)18(2,3)4)15(13)23(21-14)12-8-6-7-9-12/h12H,5-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4D				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Mus musculus)	BDBM50470786 (CHEMBL21964) Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H20O4/c1-22-17-11-10-15(12-18(17)23-16-4-2-3-5-16)13-6-8-14(9-7-13)19(20)21/h6-12,16H,2-5H2,1H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]rolipram from mouse brain homogenates				J Med Chem 39: 120-5 (1996) Article DOI: 10.1021/jm9505066 BindingDB Entry DOI: 10.7270/Q20P12Q4
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM14775 (3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity on human eosinophil phosphodiesterase 4.				J Med Chem 41: 2268-77 (1998) Article DOI: 10.1021/jm9800090 BindingDB Entry DOI: 10.7270/Q27S7RH6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104536 ((R)-3-(2,6-Dichloro-benzoylamino)-4-(2',6'-dimetho...) Show SMILES COc1cccc(OC)c1-c1ccc(C[C@H](CC(O)=O)NC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C25H23Cl2NO5/c1-32-20-7-4-8-21(33-2)23(20)16-11-9-15(10-12-16)13-17(14-22(29)30)28-25(31)24-18(26)5-3-6-19(24)27/h3-12,17H,13-14H2,1-2H3,(H,28,31)(H,29,30)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104531 (3-[3-((S)-1-{2-[3-Methoxy-4-(3-o-tolyl-ureido)-phe...) Show SMILES COc1cc(CC(=O)N[C@@H](CC(C)C)c2cc(CCC(O)=O)on2)ccc1NC(=O)Nc1ccccc1C Show InChI InChI=1S/C28H34N4O6/c1-17(2)13-23(24-16-20(38-32-24)10-12-27(34)35)29-26(33)15-19-9-11-22(25(14-19)37-4)31-28(36)30-21-8-6-5-7-18(21)3/h5-9,11,14,16-17,23H,10,12-13,15H2,1-4H3,(H,29,33)(H,34,35)(H2,30,31,36)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50202531 (9-cyclopentyl-5,6-dihydro-7-ethyl-3-(tert-butyl)-9...) Show SMILES CCc1nn(C2CCCC2)c-2c1CCn1c-2nnc1C(C)(C)C Show InChI InChI=1S/C18H27N5/c1-5-14-13-10-11-22-16(19-20-17(22)18(2,3)4)15(13)23(21-14)12-8-6-7-9-12/h12H,5-11H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4A				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50202544 (9-cyclopentyl-5,6-dihydro-7-ethyl-3-(2-chloropheny...) Show SMILES CCc1nn(C2CCCC2)c-2c1CCn1c-2nnc1-c1ccccc1Cl Show InChI InChI=1S/C20H22ClN5/c1-2-17-15-11-12-25-19(14-9-5-6-10-16(14)21)22-23-20(25)18(15)26(24-17)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4D				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50202528 (8-Cyclopentyl-6-ethyl-3-thiophen-2-yl-5,8-dihydro-...) Show SMILES CCc1nn(C2CCCC2)c-2c1CCn1c(nnc-21)-c1cccs1 Show InChI InChI=1S/C18H21N5S/c1-2-14-13-9-10-22-17(15-8-5-11-24-15)19-20-18(22)16(13)23(21-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4D				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50202528 (8-Cyclopentyl-6-ethyl-3-thiophen-2-yl-5,8-dihydro-...) Show SMILES CCc1nn(C2CCCC2)c-2c1CCn1c(nnc-21)-c1cccs1 Show InChI InChI=1S/C18H21N5S/c1-2-14-13-9-10-22-17(15-8-5-11-24-15)19-20-18(22)16(13)23(21-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Homo sapiens (Human))	BDBM14775 (3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4C				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Mus musculus)	BDBM50470779 (CHEMBL21463) Show SMILES COc1ccc(cc1OC1CCCC1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C19H20O4/c1-22-17-10-9-14(12-18(17)23-16-7-2-3-8-16)13-5-4-6-15(11-13)19(20)21/h4-6,9-12,16H,2-3,7-8H2,1H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]rolipram from mouse brain homogenates				J Med Chem 39: 120-5 (1996) Article DOI: 10.1021/jm9505066 BindingDB Entry DOI: 10.7270/Q20P12Q4
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Mus musculus)	BDBM50470781 (CHEMBL281781) Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H20O4/c1-26-21-11-10-19(15-6-8-16(9-7-15)23(24)25)14-22(21)27-20-12-17-4-2-3-5-18(17)13-20/h2-11,14,20H,12-13H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]rolipram from mouse brain homogenates				J Med Chem 39: 120-5 (1996) Article DOI: 10.1021/jm9505066 BindingDB Entry DOI: 10.7270/Q20P12Q4
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50344734 (2-chloro-5-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-n2ncc(=O)[nH]c2=O)CCCCCC1 Show InChI InChI=1S/C18H21ClN4O4/c19-14-6-5-12(23-17(26)22-15(24)10-21-23)9-13(14)16(25)20-11-18(27)7-3-1-2-4-8-18/h5-6,9-10,27H,1-4,7-8,11H2,(H,20,25)(H,22,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced YOPRO-1 uptake				Bioorg Med Chem Lett 21: 3708-11 (2011) Article DOI: 10.1016/j.bmcl.2011.04.077 BindingDB Entry DOI: 10.7270/Q2B27VMG
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104526 (3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)s1 Show InChI InChI=1S/C27H32N4O4S/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50344737 (2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(4-(2-...) Show SMILES COCCn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O Show InChI InChI=1S/C21H27ClN4O5/c1-31-11-10-25-18(27)13-24-26(20(25)29)15-6-7-17(22)16(12-15)19(28)23-14-21(30)8-4-2-3-5-9-21/h6-7,12-13,30H,2-5,8-11,14H2,1H3,(H,23,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human LPS-stimulated monocytes assessed as inhibition of ATP-induced IL1-beta release by ELISA				Bioorg Med Chem Lett 21: 3708-11 (2011) Article DOI: 10.1016/j.bmcl.2011.04.077 BindingDB Entry DOI: 10.7270/Q2B27VMG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50202544 (9-cyclopentyl-5,6-dihydro-7-ethyl-3-(2-chloropheny...) Show SMILES CCc1nn(C2CCCC2)c-2c1CCn1c-2nnc1-c1ccccc1Cl Show InChI InChI=1S/C20H22ClN5/c1-2-17-15-11-12-25-19(14-9-5-6-10-16(14)21)22-23-20(25)18(15)26(24-17)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104527 (3-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C1=NOC(CCC(O)=O)C1 |t:28| Show InChI InChI=1S/C27H34N4O5/c1-17(2)14-23(24-16-21(36-31-24)12-13-26(33)34)29-25(32)15-19-8-10-20(11-9-19)28-27(35)30-22-7-5-4-6-18(22)3/h4-11,17,21,23H,12-16H2,1-3H3,(H,29,32)(H,33,34)(H2,28,30,35)/t21?,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50202528 (8-Cyclopentyl-6-ethyl-3-thiophen-2-yl-5,8-dihydro-...) Show SMILES CCc1nn(C2CCCC2)c-2c1CCn1c(nnc-21)-c1cccs1 Show InChI InChI=1S/C18H21N5S/c1-2-14-13-9-10-22-17(15-8-5-11-24-15)19-20-18(22)16(13)23(21-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4A				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104534 (3-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1cc(CCC(O)=O)on1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-23(24-16-21(36-31-24)12-13-26(33)34)29-25(32)15-19-8-10-20(11-9-19)28-27(35)30-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,29,32)(H,33,34)(H2,28,30,35)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50016653 (CHEMBL19187 | N-Benzyl-4-chloro-2-(2,5-dioxo-imida...) Show SMILES Oc1[nH]c(=O)[nH]c1-c1cc(Cl)ccc1S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C16H14ClN3O4S/c17-11-6-7-13(12(8-11)14-15(21)20-16(22)19-14)25(23,24)18-9-10-4-2-1-3-5-10/h1-8,18,21H,9H2,(H2,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human placental aldose reductase (HPAR) activity with glyceraldehyde as substrate				J Med Chem 32: 1208-13 (1989) BindingDB Entry DOI: 10.7270/Q24B309G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50471675 (CHEMBL307678) Show SMILES CCc1nn(C2CCCC2)c2c1CCN(C2=O)c1cccc(OC)c1 Show InChI InChI=1S/C20H25N3O2/c1-3-18-17-11-12-22(15-9-6-10-16(13-15)25-2)20(24)19(17)23(21-18)14-7-4-5-8-14/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity on human eosinophil phosphodiesterase 4.				J Med Chem 41: 2268-77 (1998) Article DOI: 10.1021/jm9800090 BindingDB Entry DOI: 10.7270/Q27S7RH6
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50344736 (2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(4-iso...) Show SMILES CC(C)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O Show InChI InChI=1S/C22H29ClN4O4/c1-15(2)13-26-19(28)12-25-27(21(26)30)16-7-8-18(23)17(11-16)20(29)24-14-22(31)9-5-3-4-6-10-22/h7-8,11-12,15,31H,3-6,9-10,13-14H2,1-2H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human LPS-stimulated monocytes assessed as inhibition of ATP-induced IL1-beta release by ELISA				Bioorg Med Chem Lett 21: 3708-11 (2011) Article DOI: 10.1016/j.bmcl.2011.04.077 BindingDB Entry DOI: 10.7270/Q2B27VMG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50202544 (9-cyclopentyl-5,6-dihydro-7-ethyl-3-(2-chloropheny...) Show SMILES CCc1nn(C2CCCC2)c-2c1CCn1c-2nnc1-c1ccccc1Cl Show InChI InChI=1S/C20H22ClN5/c1-2-17-15-11-12-25-19(14-9-5-6-10-16(14)21)22-23-20(25)18(15)26(24-17)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4A				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50346088 ((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4D				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50471668 (CHEMBL309803) Show SMILES CCc1nn(C2CCCC2)c2c1CCN(C2=O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClN3O/c1-2-17-16-10-11-22(15-9-5-6-13(20)12-15)19(24)18(16)23(21-17)14-7-3-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity on human eosinophil phosphodiesterase 4.				J Med Chem 41: 2268-77 (1998) Article DOI: 10.1021/jm9800090 BindingDB Entry DOI: 10.7270/Q27S7RH6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Homo sapiens (Human))	BDBM50202531 (9-cyclopentyl-5,6-dihydro-7-ethyl-3-(tert-butyl)-9...) Show SMILES CCc1nn(C2CCCC2)c-2c1CCn1c-2nnc1C(C)(C)C Show InChI InChI=1S/C18H27N5/c1-5-14-13-10-11-22-16(19-20-17(22)18(2,3)4)15(13)23(21-14)12-8-6-7-9-12/h12H,5-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4C				J Med Chem 50: 344-9 (2007) Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z
					More data for this Ligand-Target Pair

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