Compile Data Set for Download or QSAR

Found 1409 hits with Last Name = 'hum' and Initial = 'm'   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238182 (CHEMBL4100860) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(CCCO)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C27H26FN5O3/c1-3-25(35)30-20-10-11-22(36-2)21(16-20)31-24-15-18(12-13-29-24)27-26(17-6-8-19(28)9-7-17)32-23(33-27)5-4-14-34/h3,6-13,15-16,34H,1,4-5,14H2,2H3,(H,29,31)(H,30,35)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of binding of [3H][D-Ala2,D-Leu5]enkephalin to Opioid receptor delta 1 in the rat brain homogenate				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238177 (CHEMBL4098072) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h4-14H,1H2,2-3H3,(H,27,29)(H,28,32)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin incubated ...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238183 (CHEMBL4071012) Show SMILES Fc1ccc(cc1)-c1nc(SCCNC(=O)C=C)[nH]c1-c1ccnc(Nc2ccccc2)c1 Show InChI InChI=1S/C25H22FN5OS/c1-2-22(32)28-14-15-33-25-30-23(17-8-10-19(26)11-9-17)24(31-25)18-12-13-27-21(16-18)29-20-6-4-3-5-7-20/h2-13,16H,1,14-15H2,(H,27,29)(H,28,32)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin incubated ...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14768 ((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cnc4ccccc4n3)c2cc1OC |r| Show InChI InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase (Rattus norvegicus)	BDBM107767 (US11419874, PF-05180999 | US8598155, 2) Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1 Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of radiolabeled 4-(azetidin-1-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-1-(tritritiomethyl)pyrazolo[3,4-d]pyrimidine from PD...				J Med Chem 61: 1001-1018 (2018) Article DOI: 10.1021/acs.jmedchem.7b01466 BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50440293 (CHEMBL2424822) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(cc3[nH]2)C(O)=O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H111N13O14/c1-24-44-62(88)74(17)33-52(81)75(18)47(27-34(2)3)59(85)73-53(38(10)11)65(91)76(19)48(28-35(4)5)58(84)68-41(15)57(83)69-42(16)61(87)77(20)49(29-36(6)7)63(89)78(21)50(30-37(8)9)64(90)79(22)54(39(12)13)66(92)80(23)55(60(86)72-44)56(82)40(14)31-51-70-45-26-25-43(67(93)94)32-46(45)71-51/h25-26,32,34-42,44,47-50,53-56,82H,24,27-31,33H2,1-23H3,(H,68,84)(H,69,83)(H,70,71)(H,72,86)(H,73,85)(H,93,94)/t40-,41+,42-,44+,47+,48+,49+,50+,53+,54+,55+,56-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate				J Med Chem 56: 7302-11 (2013) Article DOI: 10.1021/jm4007577 BindingDB Entry DOI: 10.7270/Q2NK3GGK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate				J Med Chem 56: 7302-11 (2013) Article DOI: 10.1021/jm4007577 BindingDB Entry DOI: 10.7270/Q2NK3GGK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14760 ((R)-6,7-Dimethoxy-4-[3-(naphthalen-2-yloxy)-pyrrol...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4ccccc4c3)c2cc1OC |r| Show InChI InChI=1S/C24H23N3O3/c1-28-22-12-20-21(13-23(22)29-2)25-15-26-24(20)27-10-9-19(14-27)30-18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11-13,15,19H,9-10,14H2,1-2H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50440299 (CHEMBL2424823) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(C)cc3[nH]2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H113N13O12/c1-25-45-63(88)74(18)34-53(81)75(19)48(28-35(2)3)60(85)73-54(39(10)11)66(91)76(20)49(29-36(4)5)59(84)68-43(16)58(83)69-44(17)62(87)77(21)50(30-37(6)7)64(89)78(22)51(31-38(8)9)65(90)79(23)55(40(12)13)67(92)80(24)56(61(86)72-45)57(82)42(15)33-52-70-46-27-26-41(14)32-47(46)71-52/h26-27,32,35-40,42-45,48-51,54-57,82H,25,28-31,33-34H2,1-24H3,(H,68,84)(H,69,83)(H,70,71)(H,72,86)(H,73,85)/t42-,43+,44-,45+,48+,49+,50+,51+,54+,55+,56+,57-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate				J Med Chem 56: 7302-11 (2013) Article DOI: 10.1021/jm4007577 BindingDB Entry DOI: 10.7270/Q2NK3GGK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14764 ((R)-6,7-Dimethoxy-4-[3-(quinolin-6-yloxy)-pyrrolid...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4ncccc4c3)c2cc1OC |r| Show InChI InChI=1S/C23H22N4O3/c1-28-21-11-18-20(12-22(21)29-2)25-14-26-23(18)27-9-7-17(13-27)30-16-5-6-19-15(10-16)4-3-8-24-19/h3-6,8,10-12,14,17H,7,9,13H2,1-2H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14766 ((R)-6,7-Dimethoxy-4-[3-(quinolin-7-yloxy)-pyrrolid...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4cccnc4c3)c2cc1OC |r| Show InChI InChI=1S/C23H22N4O3/c1-28-21-11-18-20(12-22(21)29-2)25-14-26-23(18)27-9-7-17(13-27)30-16-6-5-15-4-3-8-24-19(15)10-16/h3-6,8,10-12,14,17H,7,9,13H2,1-2H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50440297 (CHEMBL2424817) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(cc3[nH]2)C(=O)OC)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H113N13O14/c1-25-45-63(89)75(17)34-53(82)76(18)48(28-35(2)3)60(86)74-54(39(10)11)66(92)77(19)49(29-36(4)5)59(85)69-42(15)58(84)70-43(16)62(88)78(20)50(30-37(6)7)64(90)79(21)51(31-38(8)9)65(91)80(22)55(40(12)13)67(93)81(23)56(61(87)73-45)57(83)41(14)32-52-71-46-27-26-44(68(94)95-24)33-47(46)72-52/h26-27,33,35-43,45,48-51,54-57,83H,25,28-32,34H2,1-24H3,(H,69,85)(H,70,84)(H,71,72)(H,73,87)(H,74,86)/t41-,42+,43-,45+,48+,49+,50+,51+,54+,55+,56+,57-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate				J Med Chem 56: 7302-11 (2013) Article DOI: 10.1021/jm4007577 BindingDB Entry DOI: 10.7270/Q2NK3GGK
					More data for this Ligand-Target Pair
Prostasin (Homo sapiens (Human))	BDBM50246998 (CHEMBL505558 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccc(Cl)cc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C43H46ClN5O7/c44-32-21-18-31(19-22-32)27-54-33-25-37(40(51)46-35(16-9-10-24-45)39(50)41-47-34-15-7-8-17-38(34)56-41)49(26-33)42(52)36(23-20-29-11-3-1-4-12-29)48-43(53)55-28-30-13-5-2-6-14-30/h1-8,11-15,17-19,21-22,33,35-37H,9-10,16,20,23-28,45H2,(H,46,51)(H,48,53)/t33-,35+,36-,37+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Binding affinity to human prostasin				Bioorg Med Chem Lett 18: 5895-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.029 BindingDB Entry DOI: 10.7270/Q2959HD4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin incubated ...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14763 ((R)-6,7-Dimethoxy-4-[3-(7-methoxy-naphthalen-2-ylo...) Show SMILES COc1ccc2ccc(O[C@@H]3CCN(C3)c3ncnc4cc(OC)c(OC)cc34)cc2c1 |r| Show InChI InChI=1S/C25H25N3O4/c1-29-18-6-4-16-5-7-19(11-17(16)10-18)32-20-8-9-28(14-20)25-21-12-23(30-2)24(31-3)13-22(21)26-15-27-25/h4-7,10-13,15,20H,8-9,14H2,1-3H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	17	-43.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14765 ((R)-6,7-Dimethoxy-4-[3-(2-methyl-quinolin-6-yloxy)...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4nc(C)ccc4c3)c2cc1OC |r| Show InChI InChI=1S/C24H24N4O3/c1-15-4-5-16-10-17(6-7-20(16)27-15)31-18-8-9-28(13-18)24-19-11-22(29-2)23(30-3)12-21(19)25-14-26-24/h4-7,10-12,14,18H,8-9,13H2,1-3H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14762 ((R)-6,7-Dimethoxy-4-[3-(6-methoxy-naphthalen-2-ylo...) Show SMILES COc1ccc2cc(O[C@@H]3CCN(C3)c3ncnc4cc(OC)c(OC)cc34)ccc2c1 |r| Show InChI InChI=1S/C25H25N3O4/c1-29-18-6-4-17-11-19(7-5-16(17)10-18)32-20-8-9-28(14-20)25-21-12-23(30-2)24(31-3)13-22(21)26-15-27-25/h4-7,10-13,15,20H,8-9,14H2,1-3H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
Prostasin (Homo sapiens (Human))	BDBM50246999 (CHEMBL500474 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCC1CCCCC1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C43H53N5O7/c44-25-13-12-21-35(39(49)41-46-34-20-10-11-22-38(34)55-41)45-40(50)37-26-33(53-28-31-16-6-2-7-17-31)27-48(37)42(51)36(24-23-30-14-4-1-5-15-30)47-43(52)54-29-32-18-8-3-9-19-32/h1,3-5,8-11,14-15,18-20,22,31,33,35-37H,2,6-7,12-13,16-17,21,23-29,44H2,(H,45,50)(H,47,52)/t33-,35+,36-,37+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Binding affinity to human prostasin				Bioorg Med Chem Lett 18: 5895-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.029 BindingDB Entry DOI: 10.7270/Q2959HD4
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14767 ((R)-4-[3-(Isoquinolin-3-yloxy)-pyrrolidin-1-yl]-6,...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cc4ccccc4cn3)c2cc1OC |r| Show InChI InChI=1S/C23H22N4O3/c1-28-20-10-18-19(11-21(20)29-2)25-14-26-23(18)27-8-7-17(13-27)30-22-9-15-5-3-4-6-16(15)12-24-22/h3-6,9-12,14,17H,7-8,13H2,1-2H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50440300 (CHEMBL2424821) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccccc3[nH]2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H111N13O12/c1-24-44-62(87)73(17)34-52(80)74(18)47(29-35(2)3)59(84)72-53(39(10)11)65(90)75(19)48(30-36(4)5)58(83)67-42(15)57(82)68-43(16)61(86)76(20)49(31-37(6)7)63(88)77(21)50(32-38(8)9)64(89)78(22)54(40(12)13)66(91)79(23)55(60(85)71-44)56(81)41(14)33-51-69-45-27-25-26-28-46(45)70-51/h25-28,35-44,47-50,53-56,81H,24,29-34H2,1-23H3,(H,67,83)(H,68,82)(H,69,70)(H,71,85)(H,72,84)/t41-,42+,43-,44+,47+,48+,49+,50+,53+,54+,55+,56-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate				J Med Chem 56: 7302-11 (2013) Article DOI: 10.1021/jm4007577 BindingDB Entry DOI: 10.7270/Q2NK3GGK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14755 (6,7-dimethoxy-4-[8-(4-methylpiperazin-1-yl)sulfony...) Show SMILES COc1cc2ncnc(N3CCc4cccc(c4C3)S(=O)(=O)N3CCN(C)CC3)c2cc1OC Show InChI InChI=1S/C24H29N5O4S/c1-27-9-11-29(12-10-27)34(30,31)23-6-4-5-17-7-8-28(15-19(17)23)24-18-13-21(32-2)22(33-3)14-20(18)25-16-26-24/h4-6,13-14,16H,7-12,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	25	-43.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostasin (Homo sapiens (Human))	BDBM50246997 (CHEMBL505738 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccc(F)cc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C43H46FN5O7/c44-32-21-18-31(19-22-32)27-54-33-25-37(40(51)46-35(16-9-10-24-45)39(50)41-47-34-15-7-8-17-38(34)56-41)49(26-33)42(52)36(23-20-29-11-3-1-4-12-29)48-43(53)55-28-30-13-5-2-6-14-30/h1-8,11-15,17-19,21-22,33,35-37H,9-10,16,20,23-28,45H2,(H,46,51)(H,48,53)/t33-,35+,36-,37+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Binding affinity to human prostasin				Bioorg Med Chem Lett 18: 5895-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.029 BindingDB Entry DOI: 10.7270/Q2959HD4
					More data for this Ligand-Target Pair
Prostasin (Homo sapiens (Human))	BDBM50246995 (CHEMBL505048 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccc(cc1)C(F)(F)F)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C44H46F3N5O7/c45-44(46,47)32-21-18-31(19-22-32)27-57-33-25-37(40(54)49-35(16-9-10-24-48)39(53)41-50-34-15-7-8-17-38(34)59-41)52(26-33)42(55)36(23-20-29-11-3-1-4-12-29)51-43(56)58-28-30-13-5-2-6-14-30/h1-8,11-15,17-19,21-22,33,35-37H,9-10,16,20,23-28,48H2,(H,49,54)(H,51,56)/t33-,35+,36-,37+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Binding affinity to human prostasin				Bioorg Med Chem Lett 18: 5895-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.029 BindingDB Entry DOI: 10.7270/Q2959HD4
					More data for this Ligand-Target Pair
Prostasin (Homo sapiens (Human))	BDBM50247004 ((3R,5S)-5-(((S)-6-amino-1-(benzo[d]oxazol-2-yl)-1-...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OC(=O)N1CCCCC1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C42H50N6O8/c43-23-11-10-19-33(37(49)39-45-32-18-8-9-20-36(32)56-39)44-38(50)35-26-31(55-42(53)47-24-12-3-13-25-47)27-48(35)40(51)34(22-21-29-14-4-1-5-15-29)46-41(52)54-28-30-16-6-2-7-17-30/h1-2,4-9,14-18,20,31,33-35H,3,10-13,19,21-28,43H2,(H,44,50)(H,46,52)/t31-,33+,34-,35+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Binding affinity to human prostasin				Bioorg Med Chem Lett 18: 5895-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.029 BindingDB Entry DOI: 10.7270/Q2959HD4
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B (Homo sapiens (Human))	BDBM50440293 (CHEMBL2424822) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(cc3[nH]2)C(O)=O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H111N13O14/c1-24-44-62(88)74(17)33-52(81)75(18)47(27-34(2)3)59(85)73-53(38(10)11)65(91)76(19)48(28-35(4)5)58(84)68-41(15)57(83)69-42(16)61(87)77(20)49(29-36(6)7)63(89)78(21)50(30-37(8)9)64(90)79(22)54(39(12)13)66(92)80(23)55(60(86)72-44)56(82)40(14)31-51-70-45-26-25-43(67(93)94)32-46(45)71-51/h25-26,32,34-42,44,47-50,53-56,82H,24,27-31,33H2,1-23H3,(H,68,84)(H,69,83)(H,70,71)(H,72,86)(H,73,85)(H,93,94)/t40-,41+,42-,44+,47+,48+,49+,50+,53+,54+,55+,56-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Max-Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of CypB PPIase activity (unknown origin)				J Med Chem 56: 7302-11 (2013) Article DOI: 10.1021/jm4007577 BindingDB Entry DOI: 10.7270/Q2NK3GGK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50440296 (CHEMBL2424818) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccccc3s2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H110N12O12S/c1-24-44-62(86)72(17)34-52(79)73(18)46(29-35(2)3)59(83)71-53(39(10)11)65(89)74(19)47(30-36(4)5)58(82)67-42(15)57(81)68-43(16)61(85)75(20)48(31-37(6)7)63(87)76(21)49(32-38(8)9)64(88)77(22)54(40(12)13)66(90)78(23)55(60(84)70-44)56(80)41(14)33-51-69-45-27-25-26-28-50(45)91-51/h25-28,35-44,46-49,53-56,80H,24,29-34H2,1-23H3,(H,67,82)(H,68,81)(H,70,84)(H,71,83)/t41-,42+,43-,44+,46+,47+,48+,49+,53+,54+,55+,56-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate				J Med Chem 56: 7302-11 (2013) Article DOI: 10.1021/jm4007577 BindingDB Entry DOI: 10.7270/Q2NK3GGK
					More data for this Ligand-Target Pair
Prostasin (Homo sapiens (Human))	BDBM50246992 (CHEMBL498914 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C43H47N5O7/c44-25-13-12-21-35(39(49)41-46-34-20-10-11-22-38(34)55-41)45-40(50)37-26-33(53-28-31-16-6-2-7-17-31)27-48(37)42(51)36(24-23-30-14-4-1-5-15-30)47-43(52)54-29-32-18-8-3-9-19-32/h1-11,14-20,22,33,35-37H,12-13,21,23-29,44H2,(H,45,50)(H,47,52)/t33-,35+,36-,37+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Binding affinity to human prostasin				Bioorg Med Chem Lett 18: 5895-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.029 BindingDB Entry DOI: 10.7270/Q2959HD4
					More data for this Ligand-Target Pair
Prostasin (Homo sapiens (Human))	BDBM50246994 (CHEMBL443101 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCc1cccc(c1)C(F)(F)F)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C44H46F3N5O7/c45-44(46,47)32-17-11-16-31(24-32)28-57-33-25-37(40(54)49-35(19-9-10-23-48)39(53)41-50-34-18-7-8-20-38(34)59-41)52(26-33)42(55)36(22-21-29-12-3-1-4-13-29)51-43(56)58-27-30-14-5-2-6-15-30/h1-8,11-18,20,24,33,35-37H,9-10,19,21-23,25-28,48H2,(H,49,54)(H,51,56)/t33-,35+,36-,37+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Binding affinity to human prostasin				Bioorg Med Chem Lett 18: 5895-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.029 BindingDB Entry DOI: 10.7270/Q2959HD4
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14756 ((R)-4-[3-(5-Chloro-pyrimidin-2-yloxy)-pyrrolidin-1...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ncc(Cl)cn3)c2cc1OC |r| Show InChI InChI=1S/C18H18ClN5O3/c1-25-15-5-13-14(6-16(15)26-2)22-10-23-17(13)24-4-3-12(9-24)27-18-20-7-11(19)8-21-18/h5-8,10,12H,3-4,9H2,1-2H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50440298 (CHEMBL2424824) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(cc3[nH]2)C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C69H117N13O12/c1-26-47-65(90)76(19)35-55(83)77(20)50(29-36(2)3)62(87)75-56(41(12)13)68(93)78(21)51(30-37(4)5)61(86)70-44(17)60(85)71-45(18)64(89)79(22)52(31-38(6)7)66(91)80(23)53(32-39(8)9)67(92)81(24)57(42(14)15)69(94)82(25)58(63(88)74-47)59(84)43(16)33-54-72-48-28-27-46(40(10)11)34-49(48)73-54/h27-28,34,36-45,47,50-53,56-59,84H,26,29-33,35H2,1-25H3,(H,70,86)(H,71,85)(H,72,73)(H,74,88)(H,75,87)/t43-,44+,45-,47+,50+,51+,52+,53+,56+,57+,58+,59-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate				J Med Chem 56: 7302-11 (2013) Article DOI: 10.1021/jm4007577 BindingDB Entry DOI: 10.7270/Q2NK3GGK
					More data for this Ligand-Target Pair
Prostasin (Homo sapiens (Human))	BDBM50246996 (CHEMBL506226 | {(R)-1-[(2S,4R)-2-[(S)-5-Amino-1-(b...) Show SMILES Cc1ccc(CO[C@@H]2C[C@H](N(C2)C(=O)[C@@H](CCc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)c2nc3ccccc3o2)cc1 |r| Show InChI InChI=1S/C44H49N5O7/c1-30-19-21-33(22-20-30)28-54-34-26-38(41(51)46-36(17-10-11-25-45)40(50)42-47-35-16-8-9-18-39(35)56-42)49(27-34)43(52)37(24-23-31-12-4-2-5-13-31)48-44(53)55-29-32-14-6-3-7-15-32/h2-9,12-16,18-22,34,36-38H,10-11,17,23-29,45H2,1H3,(H,46,51)(H,48,53)/t34-,36+,37-,38+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Binding affinity to human prostasin				Bioorg Med Chem Lett 18: 5895-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.029 BindingDB Entry DOI: 10.7270/Q2959HD4
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM14761 ((R)-6,7-Dimethoxy-4-[3-(naphthalen-1-yloxy)-pyrrol...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cccc4ccccc34)c2cc1OC |r| Show InChI InChI=1S/C24H23N3O3/c1-28-22-12-19-20(13-23(22)29-2)25-15-26-24(19)27-11-10-17(14-27)30-21-9-5-7-16-6-3-4-8-18(16)21/h3-9,12-13,15,17H,10-11,14H2,1-2H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
Prostasin (Homo sapiens (Human))	BDBM50246991 (CHEMBL509770 | benzyl (R)-1-((2S,3S)-2-(((S)-6-ami...) Show SMILES C[C@H]1CCN([C@@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1)C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C37H43N5O6/c1-25-21-23-42(32(25)34(44)39-29(17-10-11-22-38)33(43)35-40-28-16-8-9-18-31(28)48-35)36(45)30(20-19-26-12-4-2-5-13-26)41-37(46)47-24-27-14-6-3-7-15-27/h2-9,12-16,18,25,29-30,32H,10-11,17,19-24,38H2,1H3,(H,39,44)(H,41,46)/t25-,29-,30+,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Binding affinity to human prostasin				Bioorg Med Chem Lett 18: 5895-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.029 BindingDB Entry DOI: 10.7270/Q2959HD4
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14748 ((R)-4-[3-(4-Ethoxy-phenoxy)-pyrrolidin-1-yl]-6,7-d...) Show SMILES CCOc1ccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)cc1 |r| Show InChI InChI=1S/C22H25N3O4/c1-4-28-15-5-7-16(8-6-15)29-17-9-10-25(13-17)22-18-11-20(26-2)21(27-3)12-19(18)23-14-24-22/h5-8,11-12,14,17H,4,9-10,13H2,1-3H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	54	-41.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14745 ((R)-4-[1-(6,7-Dimethoxy-quinazolin-4-yl)-pyrrolidi...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C#N)c2cc1OC |r| Show InChI InChI=1S/C21H20N4O3/c1-26-19-9-17-18(10-20(19)27-2)23-13-24-21(17)25-8-7-16(12-25)28-15-5-3-14(11-22)4-6-15/h3-6,9-10,13,16H,7-8,12H2,1-2H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	-41.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM14761 ((R)-6,7-Dimethoxy-4-[3-(naphthalen-1-yloxy)-pyrrol...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cccc4ccccc34)c2cc1OC |r| Show InChI InChI=1S/C24H23N3O3/c1-28-22-12-19-20(13-23(22)29-2)25-15-26-24(19)27-11-10-17(14-27)30-21-9-5-7-16-6-3-4-8-18(16)21/h3-9,12-13,15,17H,10-11,14H2,1-2H3/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50440294 (CHEMBL2424820) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CC2=Nc3ccccc3CN2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r,t:12| Show InChI InChI=1S/C67H113N13O12/c1-24-46-63(88)74(17)35-53(81)75(18)48(29-36(2)3)60(85)73-54(40(10)11)66(91)76(19)49(30-37(4)5)59(84)69-43(15)58(83)70-44(16)62(87)77(20)50(31-38(6)7)64(89)78(21)51(32-39(8)9)65(90)79(22)55(41(12)13)67(92)80(23)56(61(86)72-46)57(82)42(14)33-52-68-34-45-27-25-26-28-47(45)71-52/h25-28,36-44,46,48-51,54-57,82H,24,29-35H2,1-23H3,(H,68,71)(H,69,84)(H,70,83)(H,72,86)(H,73,85)/t42-,43+,44-,46+,48+,49+,50+,51+,54+,55+,56+,57-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate				J Med Chem 56: 7302-11 (2013) Article DOI: 10.1021/jm4007577 BindingDB Entry DOI: 10.7270/Q2NK3GGK
					More data for this Ligand-Target Pair
Prostasin (Homo sapiens (Human))	BDBM50247002 (((R)-1-{(2S,4R)-2-[(S)-5-Amino-1-(benzooxazole-2-c...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OC(=O)NCc1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C44H48N6O8/c45-25-13-12-21-35(39(51)41-48-34-20-10-11-22-38(34)58-41)47-40(52)37-26-33(57-43(54)46-27-31-16-6-2-7-17-31)28-50(37)42(53)36(24-23-30-14-4-1-5-15-30)49-44(55)56-29-32-18-8-3-9-19-32/h1-11,14-20,22,33,35-37H,12-13,21,23-29,45H2,(H,46,54)(H,47,52)(H,49,55)/t33-,35+,36-,37+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Binding affinity to human prostasin				Bioorg Med Chem Lett 18: 5895-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.029 BindingDB Entry DOI: 10.7270/Q2959HD4
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM14751 ((R)-4-[3-(3-Ethoxy-phenoxy)-pyrrolidin-1-yl]-6,7-d...) Show SMILES CCOc1cccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)c1 |r| Show InChI InChI=1S/C22H25N3O4/c1-4-28-15-6-5-7-16(10-15)29-17-8-9-25(13-17)22-18-11-20(26-2)21(27-3)12-19(18)23-14-24-22/h5-7,10-12,14,17H,4,8-9,13H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50440295 (CHEMBL2424819) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccccc3c(=O)[nH]2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H111N13O13/c1-24-45-63(89)74(17)34-52(81)75(18)47(29-35(2)3)60(86)73-53(39(10)11)66(92)76(19)48(30-36(4)5)59(85)68-42(15)57(83)69-43(16)62(88)77(20)49(31-37(6)7)64(90)78(21)50(32-38(8)9)65(91)79(22)54(40(12)13)67(93)80(23)55(61(87)71-45)56(82)41(14)33-51-70-46-28-26-25-27-44(46)58(84)72-51/h25-28,35-43,45,47-50,53-56,82H,24,29-34H2,1-23H3,(H,68,85)(H,69,83)(H,71,87)(H,73,86)(H,70,72,84)/t41-,42+,43-,45+,47+,48+,49+,50+,53+,54+,55+,56-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate				J Med Chem 56: 7302-11 (2013) Article DOI: 10.1021/jm4007577 BindingDB Entry DOI: 10.7270/Q2NK3GGK
					More data for this Ligand-Target Pair
Prostasin (Homo sapiens (Human))	BDBM50247000 (CHEMBL446259 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCC1CCCC1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C42H51N5O7/c43-24-12-11-20-34(38(48)40-45-33-19-9-10-21-37(33)54-40)44-39(49)36-25-32(52-27-30-17-7-8-18-30)26-47(36)41(50)35(23-22-29-13-3-1-4-14-29)46-42(51)53-28-31-15-5-2-6-16-31/h1-6,9-10,13-16,19,21,30,32,34-36H,7-8,11-12,17-18,20,22-28,43H2,(H,44,49)(H,46,51)/t32-,34+,35-,36+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Binding affinity to human prostasin				Bioorg Med Chem Lett 18: 5895-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.029 BindingDB Entry DOI: 10.7270/Q2959HD4
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14753 ((R)-4-[3-(3,4-Dimethoxy-phenoxy)-pyrrolidin-1-yl]-...) Show SMILES COc1ccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)cc1OC |r| Show InChI InChI=1S/C22H25N3O5/c1-26-18-6-5-14(9-19(18)27-2)30-15-7-8-25(12-15)22-16-10-20(28-3)21(29-4)11-17(16)23-13-24-22/h5-6,9-11,13,15H,7-8,12H2,1-4H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	67	-40.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14752 ((R)-4-[3-(Indan-5-yloxy)-pyrrolidin-1-yl]-6,7-dime...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4CCCc4c3)c2cc1OC |r| Show InChI InChI=1S/C23H25N3O3/c1-27-21-11-19-20(12-22(21)28-2)24-14-25-23(19)26-9-8-18(13-26)29-17-7-6-15-4-3-5-16(15)10-17/h6-7,10-12,14,18H,3-5,8-9,13H2,1-2H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	68	-40.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM14757 ((R)-6,7-Dimethoxy-4-[3-(pyridin-2-yloxy)-pyrrolidi...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccn3)c2cc1OC |r| Show InChI InChI=1S/C19H20N4O3/c1-24-16-9-14-15(10-17(16)25-2)21-12-22-19(14)23-8-6-13(11-23)26-18-5-3-4-7-20-18/h3-5,7,9-10,12-13H,6,8,11H2,1-2H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM14751 ((R)-4-[3-(3-Ethoxy-phenoxy)-pyrrolidin-1-yl]-6,7-d...) Show SMILES CCOc1cccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)c1 |r| Show InChI InChI=1S/C22H25N3O4/c1-4-28-15-6-5-7-16(10-15)29-17-8-9-25(13-17)22-18-11-20(26-2)21(27-3)12-19(18)23-14-24-22/h5-7,10-12,14,17H,4,8-9,13H2,1-3H3/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM14751 ((R)-4-[3-(3-Ethoxy-phenoxy)-pyrrolidin-1-yl]-6,7-d...) Show SMILES CCOc1cccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)c1 |r| Show InChI InChI=1S/C22H25N3O4/c1-4-28-15-6-5-7-16(10-15)29-17-8-9-25(13-17)22-18-11-20(26-2)21(27-3)12-19(18)23-14-24-22/h5-7,10-12,14,17H,4,8-9,13H2,1-3H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	94	-39.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM14739 ((R)-6,7-Dimethoxy-4-[3-(2-trifluoromethyl-phenoxy)...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3C(F)(F)F)c2cc1OC |r| Show InChI InChI=1S/C21H20F3N3O3/c1-28-18-9-14-16(10-19(18)29-2)25-12-26-20(14)27-8-7-13(11-27)30-17-6-4-3-5-15(17)21(22,23)24/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM14743 ((R)-4-[3-(2-Chloro-phenoxy)-pyrrolidin-1-yl]-6,7-d...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3Cl)c2cc1OC |r| Show InChI InChI=1S/C20H20ClN3O3/c1-25-18-9-14-16(10-19(18)26-2)22-12-23-20(14)24-8-7-13(11-24)27-17-6-4-3-5-15(17)21/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM14742 ((S)-6,7-Dimethoxy-4-[3-(2-methoxy-phenoxy)-pyrroli...) Show SMILES COc1ccccc1O[C@H]1CCN(C1)c1ncnc2cc(OC)c(OC)cc12 |r| Show InChI InChI=1S/C21H23N3O4/c1-25-17-6-4-5-7-18(17)28-14-8-9-24(12-14)21-15-10-19(26-2)20(27-3)11-16(15)22-13-23-21/h4-7,10-11,13-14H,8-9,12H2,1-3H3/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
					More data for this Ligand-Target Pair

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