Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 5881   

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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98538 (US8492392, T-1) Show SMILES COC[C@H](C)Oc1nc(nc2CCN(Cc12)C(=O)c1ncn2ccccc12)-c1ccc(Cl)nc1 |r| Show InChI InChI=1S/C24H23ClN6O3/c1-15(13-33-2)34-23-17-12-30(24(32)21-19-5-3-4-9-31(19)14-27-21)10-8-18(17)28-22(29-23)16-6-7-20(25)26-11-16/h3-7,9,11,14-15H,8,10,12-13H2,1-2H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.430	-53.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98540 (US8492392, 1-11) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)C(=O)Nc1ccc(C)nc1)-c1ccc(Cl)nc1 Show InChI InChI=1S/C22H23ClN6O2/c1-13(2)31-21-17-12-29(22(30)26-16-6-4-14(3)24-11-16)9-8-18(17)27-20(28-21)15-5-7-19(23)25-10-15/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398012 (CHEMBL2180422 | US8492392, 1-17) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)S(=O)(=O)c1cccnc1)-c1ccc(Cl)nc1 Show InChI InChI=1S/C20H20ClN5O3S/c1-13(2)29-20-16-12-26(30(27,28)15-4-3-8-22-11-15)9-7-17(16)24-19(25-20)14-5-6-18(21)23-10-14/h3-6,8,10-11,13H,7,9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	0.630	-52.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98545 (US8492392, 1-20) Show SMILES COc1ccc2[nH]c(cc2n1)C(=O)N1CCc2nc(nc(OC(C)C)c2C1)-c1cccnc1 Show InChI InChI=1S/C24H24N6O3/c1-14(2)33-23-16-13-30(10-8-17(16)28-22(29-23)15-5-4-9-25-12-15)24(31)20-11-19-18(26-20)6-7-21(27-19)32-3/h4-7,9,11-12,14,26H,8,10,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	-51.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98541 (US8492392, 1-13) Show SMILES COc1cc(NC(=O)N2CCc3nc(nc(OC4CCOC4)c3C2)-c2ccc(Cl)nc2)ccn1 Show InChI InChI=1S/C23H23ClN6O4/c1-32-20-10-15(4-7-25-20)27-23(31)30-8-5-18-17(12-30)22(34-16-6-9-33-13-16)29-21(28-18)14-2-3-19(24)26-11-14/h2-4,7,10-11,16H,5-6,8-9,12-13H2,1H3,(H,25,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.840	-51.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398013 (CHEMBL2180421 | US8492392, K-2) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)C(=O)Nc1cnn(C)c1)-c1ccc(Cl)nc1 Show InChI InChI=1S/C20H22ClN7O2/c1-12(2)30-19-15-11-28(20(29)24-14-9-23-27(3)10-14)7-6-16(15)25-18(26-19)13-4-5-17(21)22-8-13/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.900	-51.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98535 (US8492392, P-5) Show SMILES COC[C@H](C)Oc1nc(nc2CCN(Cc12)C(=O)Nc1ccc(C)nc1)-c1ccc(Cl)nc1 |r| Show InChI InChI=1S/C23H25ClN6O3/c1-14-4-6-17(11-25-14)27-23(31)30-9-8-19-18(12-30)22(33-15(2)13-32-3)29-21(28-19)16-5-7-20(24)26-10-16/h4-7,10-11,15H,8-9,12-13H2,1-3H3,(H,27,31)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.920	-51.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398011 (CHEMBL2180423 | US8492392, O-2) Show SMILES COCCOc1nc(nc2CCN(Cc12)C(=O)c1cnn2ccccc12)-c1ccc(Cl)nc1 Show InChI InChI=1S/C23H21ClN6O3/c1-32-10-11-33-22-17-14-29(23(31)16-13-26-30-8-3-2-4-19(16)30)9-7-18(17)27-21(28-22)15-5-6-20(24)25-12-15/h2-6,8,12-13H,7,9-11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.930	-51.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50401294 (CHEMBL2204538 | US8492392, Q-2) Show SMILES COCCOc1nc(nc2CCN(Cc12)C(=O)c1ncn2ccccc12)-c1ccc(Cl)nc1 Show InChI InChI=1S/C23H21ClN6O3/c1-32-10-11-33-22-16-13-29(23(31)20-18-4-2-3-8-30(18)14-26-20)9-7-17(16)27-21(28-22)15-5-6-19(24)25-12-15/h2-6,8,12,14H,7,9-11,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	0.990	-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98544 (CHEMBL2204537 | US8492392, 1-19) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)C(=O)c1cn(C)cn1)-c1ccc(Cl)nc1 Show InChI InChI=1S/C20H21ClN6O2/c1-12(2)29-19-14-9-27(20(28)16-10-26(3)11-23-16)7-6-15(14)24-18(25-19)13-4-5-17(21)22-8-13/h4-5,8,10-12H,6-7,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4.55	-47.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98539 (US8492392, 1-8) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)C(=O)Nc1ccc2ccn(C)c2c1)-c1cccnc1 Show InChI InChI=1S/C25H26N6O2/c1-16(2)33-24-20-15-31(12-9-21(20)28-23(29-24)18-5-4-10-26-14-18)25(32)27-19-7-6-17-8-11-30(3)22(17)13-19/h4-8,10-11,13-14,16H,9,12,15H2,1-3H3,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.20	-45.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98542 (US8492392, 1-14) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)C(=O)c1ccc(C)nc1)-c1ccc(Cl)nc1 Show InChI InChI=1S/C22H22ClN5O2/c1-13(2)30-21-17-12-28(22(29)16-5-4-14(3)24-11-16)9-8-18(17)26-20(27-21)15-6-7-19(23)25-10-15/h4-7,10-11,13H,8-9,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.90	-45.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98536 (US8492392, R-1) Show SMILES COCCOc1nc(nc2CCN(Cc12)C(=O)c1cnn2ccccc12)-c1ccc(C)nc1 Show InChI InChI=1S/C24H24N6O3/c1-16-6-7-17(13-25-16)22-27-20-8-10-29(15-19(20)23(28-22)33-12-11-32-2)24(31)18-14-26-30-9-4-3-5-21(18)30/h3-7,9,13-14H,8,10-12,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12.5	-45.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50401302 (CHEMBL2205203 | US8492392, 1-7) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(OC4CCN(C)CC4)c3C2)-c2cccnc2)c1 Show InChI InChI=1S/C27H32N6O2/c1-3-19-6-4-8-21(16-19)29-27(34)33-15-11-24-23(18-33)26(35-22-9-13-32(2)14-10-22)31-25(30-24)20-7-5-12-28-17-20/h4-8,12,16-17,22H,3,9-11,13-15,18H2,1-2H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	14	-44.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98543 (US8492392, 1-18) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)c1nc2ccccc2o1)-c1cccnc1 Show InChI InChI=1S/C22H21N5O2/c1-14(2)28-21-16-13-27(22-25-18-7-3-4-8-19(18)29-22)11-9-17(16)24-20(26-21)15-6-5-10-23-12-15/h3-8,10,12,14H,9,11,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15.9	-44.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98537 (US8492392, S-1) Show SMILES COCCOc1nc(nc2CCN(Cc12)C(=O)Oc1ccccc1)-c1ccc(Cl)nc1 Show InChI InChI=1S/C22H21ClN4O4/c1-29-11-12-30-21-17-14-27(22(28)31-16-5-3-2-4-6-16)10-9-18(17)25-20(26-21)15-7-8-19(23)24-13-15/h2-8,13H,9-12,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16.8	-44.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98534 (US8492392, N-5) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)C(=O)Nc1ccc(C)nc1)N1CCCC1 Show InChI InChI=1S/C21H28N6O2/c1-14(2)29-19-17-13-27(21(28)23-16-7-6-15(3)22-12-16)11-8-18(17)24-20(25-19)26-9-4-5-10-26/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	31.4	-42.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
					More data for this Ligand-Target Pair