Compile Data Set for Download or QSAR

Found 544 hits with Last Name = 'pissarnitski' and Initial = 'da'   

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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14776 (2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...) Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 5				Bioorg Med Chem Lett 15: 2365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.083 BindingDB Entry DOI: 10.7270/Q2TM79MQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50220297 (1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-(3,5-diflu...) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C31H38ClF2N3O4S/c32-23-7-9-27(10-8-23)42(39,40)37-28(22-19-24(33)21-25(34)20-22)5-4-6-29(37)31(13-14-31)41-30(38)36-17-11-26(12-18-36)35-15-2-1-3-16-35/h7-10,19-21,26,28-29H,1-6,11-18H2/t28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level				Bioorg Med Chem Lett 17: 5330-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.013 BindingDB Entry DOI: 10.7270/Q21G0KZB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477384 (CHEMBL248276) Show SMILES Fc1cc(F)cc(c1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C31H38ClF2N3O4S/c32-23-7-9-27(10-8-23)42(39,40)37-28(22-19-24(33)21-25(34)20-22)5-4-6-29(37)31(13-14-31)41-30(38)36-17-11-26(12-18-36)35-15-2-1-3-16-35/h7-10,19-21,26,28-29H,1-6,11-18H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes				Bioorg Med Chem Lett 17: 511-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.011 BindingDB Entry DOI: 10.7270/Q26W9DTK
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140583 (5-ethyl-3-(4-hydroxybenzyl)-2-(2-phenyl-1-ethynyl)...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C#Cc3ccccc3)n(Cc3ccc(O)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C27H25N5O2/c1-2-30-26(34)24-25(32-22-10-6-9-21(22)28-27(30)32)29-23(16-13-18-7-4-3-5-8-18)31(24)17-19-11-14-20(33)15-12-19/h3-5,7-8,11-12,14-15,21-22,33H,2,6,9-10,17H2,1H3/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM119782 (US8691832, 1) Show SMILES CC#CCn1c(nc2N3CCN=C3N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:11| Show InChI InChI=1S/C26H29N9O/c1-3-4-13-33-22-23(31-26(33)32-12-7-8-18(27)15-32)34-14-11-28-25(34)35(24(22)36)16-21-29-17(2)19-9-5-6-10-20(19)30-21/h5-6,9-10,18H,7-8,11-16,27H2,1-2H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	7.5	37
Merck Sharp & Dohme Corp. US Patent					Assay Description DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...				US Patent US8691832 (2014) BindingDB Entry DOI: 10.7270/Q2QV3K6M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM119782 (US8691832, 1) Show SMILES CC#CCn1c(nc2N3CCN=C3N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:11| Show InChI InChI=1S/C26H29N9O/c1-3-4-13-33-22-23(31-26(33)32-12-7-8-18(27)15-32)34-14-11-28-25(34)35(24(22)36)16-21-29-17(2)19-9-5-6-10-20(19)30-21/h5-6,9-10,18H,7-8,11-16,27H2,1-2H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 50 mins by ...				Bioorg Med Chem 24: 5534-5545 (2016) Article DOI: 10.1016/j.bmc.2016.09.007 BindingDB Entry DOI: 10.7270/Q2GX4G2G
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140608 (2-azido-5-ethyl-3-(4-hydroxybenzyl)-(6aR,9aS)-3,4,...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(N=[N+]=[N-])n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C19H20N8O2/c1-2-25-17(29)15-16(27-14-5-3-4-13(14)21-19(25)27)22-18(23-24-20)26(15)10-11-6-8-12(28)9-7-11/h6-9,13-14,28H,2-5,10H2,1H3/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477389 (CHEMBL248285) Show SMILES Fc1cccc(c1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C31H39ClFN3O4S/c32-24-10-12-27(13-11-24)41(38,39)36-28(23-6-4-7-25(33)22-23)8-5-9-29(36)31(16-17-31)40-30(37)35-20-14-26(15-21-35)34-18-2-1-3-19-34/h4,6-7,10-13,22,26,28-29H,1-3,5,8-9,14-21H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes				Bioorg Med Chem Lett 17: 511-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.011 BindingDB Entry DOI: 10.7270/Q26W9DTK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477366 (CHEMBL537890) Show SMILES Cl.Fc1cccc(c1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C31H39ClFN3O4S.ClH/c32-24-10-12-27(13-11-24)41(38,39)36-28(23-6-4-7-25(33)22-23)8-5-9-29(36)31(16-17-31)40-30(37)35-20-14-26(15-21-35)34-18-2-1-3-19-34;/h4,6-7,10-13,22,26,28-29H,1-3,5,8-9,14-21H2;1H	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes				Bioorg Med Chem Lett 17: 511-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.011 BindingDB Entry DOI: 10.7270/Q26W9DTK
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140624 (3-(3-bromo-4-hydroxybenzyl)-5-ethyl-4-oxo-(6aR,9aS...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(N)=O)n(Cc3ccc(O)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C20H21BrN6O3/c1-2-25-19(30)15-17(27-13-5-3-4-12(13)23-20(25)27)24-18(16(22)29)26(15)9-10-6-7-14(28)11(21)8-10/h6-8,12-13,28H,2-5,9H2,1H3,(H2,22,29)/t12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477377 (CHEMBL248070) Show SMILES C[C@H]1CN(CCN1C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1)C(C)(CO)CO Show InChI InChI=1S/C30H39ClFN3O6S/c1-21-18-33(29(2,19-36)20-37)15-16-34(21)28(38)41-30(13-14-30)27-8-4-7-26(22-5-3-6-24(32)17-22)35(27)42(39,40)25-11-9-23(31)10-12-25/h3,5-6,9-12,17,21,26-27,36-37H,4,7-8,13-16,18-20H2,1-2H3/t21-,26?,27?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes				Bioorg Med Chem Lett 17: 511-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.011 BindingDB Entry DOI: 10.7270/Q26W9DTK
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140619 (2-ethoxy-5-ethyl-3-(4-hydroxybenzyl)-(6aR,9aS)-3,4...) Show SMILES CCOc1nc2N3[C@H]4CCC[C@H]4N=C3N(CC)C(=O)c2n1Cc1ccc(O)cc1 |r,c:13| Show InChI InChI=1S/C21H25N5O3/c1-3-24-19(28)17-18(26-16-7-5-6-15(16)22-20(24)26)23-21(29-4-2)25(17)12-13-8-10-14(27)11-9-13/h8-11,15-16,27H,3-7,12H2,1-2H3/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM119801 (US8691832, 20) Show SMILES CC#CCn1c(nc2N3C[C@H](C)N=C3N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:12| Show InChI InChI=1S/C27H31N9O/c1-4-5-13-34-23-24(32-26(34)33-12-8-9-19(28)15-33)35-14-17(2)29-27(35)36(25(23)37)16-22-30-18(3)20-10-6-7-11-21(20)31-22/h6-7,10-11,17,19H,8-9,12-16,28H2,1-3H3/t17-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	37
Merck Sharp & Dohme Corp. US Patent					Assay Description DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...				US Patent US8691832 (2014) BindingDB Entry DOI: 10.7270/Q2QV3K6M
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM103948 (US8569521, 144) Show SMILES CCS(=O)(=O)NC[C@@H]1CCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H24ClF2NO5S2/c1-2-32(27,28)26-12-14-4-3-11-22(33(29,30)16-7-5-15(23)6-8-16)17(14)13-31-21-19(25)10-9-18(24)20(21)22/h5-10,14,17,26H,2-4,11-13H2,1H3/t14-,17-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Gamma-secretase activity was determined as described by Zhang et al. (Biochemistry, 40(16), 5049-5055, 2001).				US Patent US8569521 (2013) BindingDB Entry DOI: 10.7270/Q2DR2T4D
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140593 (3-(3-chloro-4-hydroxybenzyl)-5-ethyl-4-oxo-(6aR,9a...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(N)=O)n(Cc3ccc(O)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C20H21ClN6O3/c1-2-25-19(30)15-17(27-13-5-3-4-12(13)23-20(25)27)24-18(16(22)29)26(15)9-10-6-7-14(28)11(21)8-10/h6-8,12-13,28H,2-5,9H2,1H3,(H2,22,29)/t12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477372 (CHEMBL245413) Show SMILES CCN1CCN(CC1)C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C27H32ClF2N3O4S/c1-2-31-12-14-32(15-13-31)26(34)37-27(10-11-27)25-5-3-4-24(19-16-21(29)18-22(30)17-19)33(25)38(35,36)23-8-6-20(28)7-9-23/h6-9,16-18,24-25H,2-5,10-15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes				Bioorg Med Chem Lett 17: 511-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.011 BindingDB Entry DOI: 10.7270/Q26W9DTK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM119786 (US8691832, 5) Show SMILES CC#CCn1c(nc2N3CCCN=C3N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:12| Show InChI InChI=1S/C27H31N9O/c1-3-4-14-34-23-24(32-27(34)33-13-7-9-19(28)16-33)35-15-8-12-29-26(35)36(25(23)37)17-22-30-18(2)20-10-5-6-11-21(20)31-22/h5-6,10-11,19H,7-9,12-17,28H2,1-2H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 50 mins by ...				Bioorg Med Chem 24: 5534-5545 (2016) Article DOI: 10.1016/j.bmc.2016.09.007 BindingDB Entry DOI: 10.7270/Q2GX4G2G
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM119786 (US8691832, 5) Show SMILES CC#CCn1c(nc2N3CCCN=C3N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:12| Show InChI InChI=1S/C27H31N9O/c1-3-4-14-34-23-24(32-27(34)33-13-7-9-19(28)16-33)35-15-8-12-29-26(35)36(25(23)37)17-22-30-18(2)20-10-5-6-11-21(20)31-22/h5-6,10-11,19H,7-9,12-17,28H2,1-2H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.5	37
Merck Sharp & Dohme Corp. US Patent					Assay Description DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...				US Patent US8691832 (2014) BindingDB Entry DOI: 10.7270/Q2QV3K6M
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140590 (2N-methyl-3-(3-chloro-4-hydroxybenzyl)-5-ethyl-4-o...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(=O)NC)n(Cc3ccc(O)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C21H23ClN6O3/c1-3-26-20(31)16-17(28-14-6-4-5-13(14)24-21(26)28)25-18(19(30)23-2)27(16)10-11-7-8-15(29)12(22)9-11/h7-9,13-14,29H,3-6,10H2,1-2H3,(H,23,30)/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140582 ((R)-3-(3-bromo-4-hydroxybenzyl)-7-benzyl-5-ethyl-2...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OC)n(Cc3ccc(O)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C24H24BrN5O3/c1-3-28-22(32)20-21(30-14-17(26-23(28)30)11-15-7-5-4-6-8-15)27-24(33-2)29(20)13-16-9-10-19(31)18(25)12-16/h4-10,12,17,31H,3,11,13-14H2,1-2H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140580 (3-(3-bromo-4-methoxybenzyl)-5-ethyl-4-oxo-(6aR,9aS...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(N)=O)n(Cc3ccc(OC)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C21H23BrN6O3/c1-3-26-20(30)16-18(28-14-6-4-5-13(14)24-21(26)28)25-19(17(23)29)27(16)10-11-7-8-15(31-2)12(22)9-11/h7-9,13-14H,3-6,10H2,1-2H3,(H2,23,29)/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM119788 (US8691832, 7) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2-[#7]-3-[#6]-[#6]-[#7]=[#6]-3-[#7](-[#6]-c3nc(-[#6])c4ccccc4n3)-[#6](=O)-c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1 |r,c:12| Show InChI InChI=1S/C27H33N9O/c1-17(2)10-13-34-23-24(32-27(34)33-12-6-7-19(28)15-33)35-14-11-29-26(35)36(25(23)37)16-22-30-18(3)20-8-4-5-9-21(20)31-22/h4-5,8-10,19H,6-7,11-16,28H2,1-3H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.5	37
Merck Sharp & Dohme Corp. US Patent					Assay Description DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...				US Patent US8691832 (2014) BindingDB Entry DOI: 10.7270/Q2QV3K6M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM119788 (US8691832, 7) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2-[#7]-3-[#6]-[#6]-[#7]=[#6]-3-[#7](-[#6]-c3nc(-[#6])c4ccccc4n3)-[#6](=O)-c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1 |r,c:12| Show InChI InChI=1S/C27H33N9O/c1-17(2)10-13-34-23-24(32-27(34)33-12-6-7-19(28)15-33)35-14-11-29-26(35)36(25(23)37)16-22-30-18(3)20-8-4-5-9-21(20)31-22/h4-5,8-10,19H,6-7,11-16,28H2,1-3H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 50 mins by ...				Bioorg Med Chem 24: 5534-5545 (2016) Article DOI: 10.1016/j.bmc.2016.09.007 BindingDB Entry DOI: 10.7270/Q2GX4G2G
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140603 (3-(3-bromo-4-hydroxybenzyl)-5-ethyl-2-methoxy-(6aR...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(OC)n(Cc3ccc(O)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C20H22BrN5O3/c1-3-24-18(28)16-17(26-14-6-4-5-13(14)22-19(24)26)23-20(29-2)25(16)10-11-7-8-15(27)12(21)9-11/h7-9,13-14,27H,3-6,10H2,1-2H3/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140620 (7-benzyl-3-(3-chloro-4-methoxybenzyl)-5-ethyl-2-me...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OC)n(Cc3ccc(OC)c(Cl)c3)c2C1=O |t:3| Show InChI InChI=1S/C25H26ClN5O3/c1-4-29-23(32)21-22(31-15-18(27-24(29)31)12-16-8-6-5-7-9-16)28-25(34-3)30(21)14-17-10-11-20(33-2)19(26)13-17/h5-11,13,18H,4,12,14-15H2,1-3H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140598 (5-ethyl-2-ethylsulfanyl-3-(4-hydroxybenzyl)-(6aR,9...) Show SMILES CCSc1nc2N3[C@H]4CCC[C@H]4N=C3N(CC)C(=O)c2n1Cc1ccc(O)cc1 |r,c:13| Show InChI InChI=1S/C21H25N5O2S/c1-3-24-19(28)17-18(26-16-7-5-6-15(16)22-20(24)26)23-21(29-4-2)25(17)12-13-8-10-14(27)11-9-13/h8-11,15-16,27H,3-7,12H2,1-2H3/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140585 ((R)-3-(3-chloro-4-hydroxybenzyl)-7-benzyl-5-ethyl-...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OC)n(Cc3ccc(O)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C24H24ClN5O3/c1-3-28-22(32)20-21(30-14-17(26-23(28)30)11-15-7-5-4-6-8-15)27-24(33-2)29(20)13-16-9-10-19(31)18(25)12-16/h4-10,12,17,31H,3,11,13-14H2,1-2H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477363 (CHEMBL248275) Show SMILES OCCN1CCN(CC1)C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1 Show InChI InChI=1S/C27H33ClFN3O5S/c28-21-7-9-23(10-8-21)38(35,36)32-24(20-3-1-4-22(29)19-20)5-2-6-25(32)27(11-12-27)37-26(34)31-15-13-30(14-16-31)17-18-33/h1,3-4,7-10,19,24-25,33H,2,5-6,11-18H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes				Bioorg Med Chem Lett 17: 511-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.011 BindingDB Entry DOI: 10.7270/Q26W9DTK
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140584 (3-(3-chloro-4-hydroxybenzyl)-5-ethyl-2-methoxy-(6a...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(OC)n(Cc3ccc(O)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C20H22ClN5O3/c1-3-24-18(28)16-17(26-14-6-4-5-13(14)22-19(24)26)23-20(29-2)25(16)10-11-7-8-15(27)12(21)9-11/h7-9,13-14,27H,3-6,10H2,1-2H3/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50129274 (CHEMBL3629745) Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCC[C@]21CCOP(C)(=O)OC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H24ClF2O6PS/c1-33(27)31-12-11-22(14-32-33)9-2-10-23(34(28,29)16-5-3-15(24)4-6-16)19(22)13-30-21-18(26)8-7-17(25)20(21)23/h3-8,19H,2,9-14H2,1H3/t19-,22+,23-,33?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 40 afte...				J Med Chem 58: 8806-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00774 BindingDB Entry DOI: 10.7270/Q2HQ41R9
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50129274 (CHEMBL3629745) Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCC[C@]21CCOP(C)(=O)OC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H24ClF2O6PS/c1-33(27)31-12-11-22(14-32-33)9-2-10-23(34(28,29)16-5-3-15(24)4-6-16)19(22)13-30-21-18(26)8-7-17(25)20(21)23/h3-8,19H,2,9-14H2,1H3/t19-,22+,23-,33?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 afte...				J Med Chem 58: 8806-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00774 BindingDB Entry DOI: 10.7270/Q2HQ41R9
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140579 (5-ethyl-3-(4-hydroxybenzyl)-4-oxo-(6aR,9aS)-3,4,5,...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(N)=O)n(Cc3ccc(O)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C20H22N6O3/c1-2-24-19(29)15-17(26-14-5-3-4-13(14)22-20(24)26)23-18(16(21)28)25(15)10-11-6-8-12(27)9-7-11/h6-9,13-14,27H,2-5,10H2,1H3,(H2,21,28)/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477371 (CHEMBL393712) Show SMILES C[C@H]1CN(CCO)CCN1C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1 Show InChI InChI=1S/C28H35ClFN3O5S/c1-20-19-31(16-17-34)14-15-32(20)27(35)38-28(12-13-28)26-7-3-6-25(21-4-2-5-23(30)18-21)33(26)39(36,37)24-10-8-22(29)9-11-24/h2,4-5,8-11,18,20,25-26,34H,3,6-7,12-17,19H2,1H3/t20-,25?,26?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes				Bioorg Med Chem Lett 17: 511-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.011 BindingDB Entry DOI: 10.7270/Q26W9DTK
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140605 (3-(3-chloro-4-hydroxybenzyl)-2-ethoxy-5-ethyl-(6aR...) Show SMILES CCOc1nc2N3[C@H]4CCC[C@H]4N=C3N(CC)C(=O)c2n1Cc1ccc(O)c(Cl)c1 |r,c:13| Show InChI InChI=1S/C21H24ClN5O3/c1-3-25-19(29)17-18(27-15-7-5-6-14(15)23-20(25)27)24-21(30-4-2)26(17)11-12-8-9-16(28)13(22)10-12/h8-10,14-15,28H,3-7,11H2,1-2H3/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	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140614 ((R)-3-(3-chloro-4-hydroxybenzyl)-7-benzyl-2-(benzy...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OCc3ccccc3)n(Cc3ccc(O)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C30H28ClN5O3/c1-2-34-28(38)26-27(36-18-23(32-29(34)36)15-20-9-5-3-6-10-20)33-30(39-19-21-11-7-4-8-12-21)35(26)17-22-13-14-25(37)24(31)16-22/h3-14,16,23,37H,2,15,17-19H2,1H3/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140611 ((R)-3-(3-bromo-4-methoxybenzyl)-7-benzyl-5-ethyl-2...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OC)n(Cc3ccc(OC)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C25H26BrN5O3/c1-4-29-23(32)21-22(31-15-18(27-24(29)31)12-16-8-6-5-7-9-16)28-25(34-3)30(21)14-17-10-11-20(33-2)19(26)13-17/h5-11,13,18H,4,12,14-15H2,1-3H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477392 (CHEMBL247869) Show SMILES Fc1cccc(c1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCC(F)(F)CC1 Show InChI InChI=1S/C31H37ClF3N3O4S/c32-23-7-9-26(10-8-23)43(40,41)38-27(22-3-1-4-24(33)21-22)5-2-6-28(38)30(13-14-30)42-29(39)37-17-11-25(12-18-37)36-19-15-31(34,35)16-20-36/h1,3-4,7-10,21,25,27-28H,2,5-6,11-20H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes				Bioorg Med Chem Lett 17: 511-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.011 BindingDB Entry DOI: 10.7270/Q26W9DTK
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140616 (2N-methyl-3-(3-chloro-4-methoxybenzyl)-5-ethyl-4-o...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(=O)NC)n(Cc3ccc(OC)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C22H25ClN6O3/c1-4-27-21(31)17-18(29-15-7-5-6-14(15)25-22(27)29)26-19(20(30)24-2)28(17)11-12-8-9-16(32-3)13(23)10-12/h8-10,14-15H,4-7,11H2,1-3H3,(H,24,30)/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	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50165781 ((R)-7-Benzyl-2-chloro-5-ethyl-3-(4-hydroxy-benzyl)...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Cl)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C23H22ClN5O2/c1-2-27-21(31)19-20(26-22(24)28(19)13-16-8-10-18(30)11-9-16)29-14-17(25-23(27)29)12-15-6-4-3-5-7-15/h3-11,17,30H,2,12-14H2,1H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 5				Bioorg Med Chem Lett 15: 2365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.083 BindingDB Entry DOI: 10.7270/Q2TM79MQ
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50220270 (1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-(3,5-diflu...) Show SMILES OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C27H32ClF2N3O5S/c28-20-4-6-23(7-5-20)39(36,37)33-24(19-16-21(29)18-22(30)17-19)2-1-3-25(33)27(8-9-27)38-26(35)32-12-10-31(11-13-32)14-15-34/h4-7,16-18,24-25,34H,1-3,8-15H2/t24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level				Bioorg Med Chem Lett 17: 5330-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.013 BindingDB Entry DOI: 10.7270/Q21G0KZB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477365 (CHEMBL245414) Show SMILES OCCN1CCN(CC1)C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C27H32ClF2N3O5S/c28-20-4-6-23(7-5-20)39(36,37)33-24(19-16-21(29)18-22(30)17-19)2-1-3-25(33)27(8-9-27)38-26(35)32-12-10-31(11-13-32)14-15-34/h4-7,16-18,24-25,34H,1-3,8-15H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes				Bioorg Med Chem Lett 17: 511-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.011 BindingDB Entry DOI: 10.7270/Q26W9DTK
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50165771 ((R)-7-Benzyl-2-bromo-5-ethyl-3-(4-hydroxy-benzyl)-...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Br)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C23H22BrN5O2/c1-2-27-21(31)19-20(26-22(24)28(19)13-16-8-10-18(30)11-9-16)29-14-17(25-23(27)29)12-15-6-4-3-5-7-15/h3-11,17,30H,2,12-14H2,1H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 5				Bioorg Med Chem Lett 15: 2365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.083 BindingDB Entry DOI: 10.7270/Q2TM79MQ
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50220288 (1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-propylpipe...) Show SMILES CCC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C28H42ClN3O4S/c1-2-7-24-8-6-9-26(32(24)37(34,35)25-12-10-22(29)11-13-25)28(16-17-28)36-27(33)31-20-14-23(15-21-31)30-18-4-3-5-19-30/h10-13,23-24,26H,2-9,14-21H2,1H3/t24-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level				Bioorg Med Chem Lett 17: 5330-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.013 BindingDB Entry DOI: 10.7270/Q21G0KZB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477386 (CHEMBL392075) Show SMILES Fc1cccc(c1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1C2CCC1CC(C2)N1CCCCC1 |THB:37:35:29:31.32| Show InChI InChI=1S/C33H41ClFN3O4S/c34-24-10-14-29(15-11-24)43(40,41)38-30(23-6-4-7-25(35)20-23)8-5-9-31(38)33(16-17-33)42-32(39)37-26-12-13-27(37)22-28(21-26)36-18-2-1-3-19-36/h4,6-7,10-11,14-15,20,26-28,30-31H,1-3,5,8-9,12-13,16-19,21-22H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes				Bioorg Med Chem Lett 17: 511-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.011 BindingDB Entry DOI: 10.7270/Q26W9DTK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477369 (CHEMBL248477) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C28H34ClF2N3O4S/c1-19(2)32-12-14-33(15-13-32)27(35)38-28(10-11-28)26-5-3-4-25(20-16-22(30)18-23(31)17-20)34(26)39(36,37)24-8-6-21(29)7-9-24/h6-9,16-19,25-26H,3-5,10-15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes				Bioorg Med Chem Lett 17: 511-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.011 BindingDB Entry DOI: 10.7270/Q26W9DTK
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50220271 (1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropy...) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1[C@@H](CCC[C@@H]1C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1)C1CC1 Show InChI InChI=1S/C28H40ClN3O4S/c29-22-9-11-24(12-10-22)37(34,35)32-25(21-7-8-21)5-4-6-26(32)28(15-16-28)36-27(33)31-19-13-23(14-20-31)30-17-2-1-3-18-30/h9-12,21,23,25-26H,1-8,13-20H2/t25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level				Bioorg Med Chem Lett 17: 5330-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.013 BindingDB Entry DOI: 10.7270/Q21G0KZB
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140578 ((R)-3-(3-chloro-4-methoxybenzyl)-7-benzyl-5-ethyl-...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(C(N)=O)n(Cc3ccc(OC)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C25H25ClN6O3/c1-3-30-24(34)20-22(32-14-17(28-25(30)32)11-15-7-5-4-6-8-15)29-23(21(27)33)31(20)13-16-9-10-19(35-2)18(26)12-16/h4-10,12,17H,3,11,13-14H2,1-2H3,(H2,27,33)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140613 (3-(3-bromo-4-methoxybenzyl)-5-ethyl-2-methoxy-(6aR...) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(OC)n(Cc3ccc(OC)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C21H24BrN5O3/c1-4-25-19(28)17-18(27-15-7-5-6-14(15)23-20(25)27)24-21(30-3)26(17)11-12-8-9-16(29-2)13(22)10-12/h8-10,14-15H,4-7,11H2,1-3H3/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476438 (CHEMBL233298) Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1 |r| Show InChI InChI=1S/C29H37ClFN3O4S/c30-23-10-12-27(13-11-23)39(36,37)34-26(8-5-9-28(34)22-6-4-7-24(31)20-22)21-38-29(35)33-18-14-25(15-19-33)32-16-2-1-3-17-32/h4,6-7,10-13,20,25-26,28H,1-3,5,8-9,14-19,21H2/t26-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia 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
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation				Bioorg Med Chem Lett 17: 57-62 (2007) Article DOI: 10.1016/j.bmcl.2006.09.094 BindingDB Entry DOI: 10.7270/Q2ZP48WP
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140623 ((R)-3-(3-chloro-4-hydroxybenzyl)-7-benzyl-5-ethyl-...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(C(N)=O)n(Cc3ccc(O)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C24H23ClN6O3/c1-2-29-23(34)19-21(31-13-16(27-24(29)31)10-14-6-4-3-5-7-14)28-22(20(26)33)30(19)12-15-8-9-18(32)17(25)11-15/h3-9,11,16,32H,2,10,12-13H2,1H3,(H2,26,33)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme				Bioorg Med Chem Lett 14: 1291-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.027 BindingDB Entry DOI: 10.7270/Q2BG2NF0
					More data for this Ligand-Target Pair

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