Compile Data Set for Download or QSAR

Found 126 hits with Last Name = 'rao' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50477152 (CHEMBL393466) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12 Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.643	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50202762 (CHEMBL238952 | N-(4-(3-(4-m-tolylpiperazin-1-yl)pr...) Show SMILES CC(=O)Nc1ccc(SCCCN2CCN(CC2)c2cccc(C)c2)cc1 Show InChI InChI=1S/C22H29N3OS/c1-18-5-3-6-21(17-18)25-14-12-24(13-15-25)11-4-16-27-22-9-7-20(8-10-22)23-19(2)26/h3,5-10,17H,4,11-16H2,1-2H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat cloned 5HT2A receptor expressed in NIH-3T3-GF6 cells				Bioorg Med Chem Lett 17: 1708-12 (2007) Article DOI: 10.1016/j.bmcl.2006.12.072 BindingDB Entry DOI: 10.7270/Q2W66KFW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50477152 (CHEMBL393466) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12 Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50133931 (1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50202763 (1-(3-(phenylthio)propyl)-4-m-tolylpiperazine | CHE...) Show SMILES Cc1cccc(c1)N1CCN(CCCSc2ccccc2)CC1 Show InChI InChI=1S/C20H26N2S/c1-18-7-5-8-19(17-18)22-14-12-21(13-15-22)11-6-16-23-20-9-3-2-4-10-20/h2-5,7-10,17H,6,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat cloned 5HT2A receptor expressed in NIH-3T3-GF6 cells				Bioorg Med Chem Lett 17: 1708-12 (2007) Article DOI: 10.1016/j.bmcl.2006.12.072 BindingDB Entry DOI: 10.7270/Q2W66KFW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50202761 (CHEMBL239371 | N-(4-(3-(4-o-tolylpiperazin-1-yl)pr...) Show SMILES CC(=O)Nc1ccc(SCCCN2CCN(CC2)c2ccccc2C)cc1 Show InChI InChI=1S/C22H29N3OS/c1-18-6-3-4-7-22(18)25-15-13-24(14-16-25)12-5-17-27-21-10-8-20(9-11-21)23-19(2)26/h3-4,6-11H,5,12-17H2,1-2H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat cloned 5HT2A receptor expressed in NIH-3T3-GF6 cells				Bioorg Med Chem Lett 17: 1708-12 (2007) Article DOI: 10.1016/j.bmcl.2006.12.072 BindingDB Entry DOI: 10.7270/Q2W66KFW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50202764 (1-(3-(4-nitrophenylthio)propyl)-4-m-tolylpiperazin...) Show SMILES Cc1cccc(c1)N1CCN(CCCSc2ccc(cc2)[N+]([O-])=O)CC1 Show InChI InChI=1S/C20H25N3O2S/c1-17-4-2-5-19(16-17)22-13-11-21(12-14-22)10-3-15-26-20-8-6-18(7-9-20)23(24)25/h2,4-9,16H,3,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	21.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat cloned 5HT2A receptor expressed in NIH-3T3-GF6 cells				Bioorg Med Chem Lett 17: 1708-12 (2007) Article DOI: 10.1016/j.bmcl.2006.12.072 BindingDB Entry DOI: 10.7270/Q2W66KFW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50133931 (1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50477151 (CHEMBL393622) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2CC3Nc4ccccc4C3CC2C1 Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50477151 (CHEMBL393622) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2CC3Nc4ccccc4C3CC2C1 Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50133931 (1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50477152 (CHEMBL393466) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12 Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50477150 (CHEMBL240733) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCNCC3CC2c2ccccc12 Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-12-28-22-5-2-1-4-20(22)21-14-19-15-26-11-13-27(19)16-23(21)28/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50477150 (CHEMBL240733) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCNCC3CC2c2ccccc12 Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-12-28-22-5-2-1-4-20(22)21-14-19-15-26-11-13-27(19)16-23(21)28/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM203459 (US9242982, 1k) Show SMILES Cn1c2[nH]c(=O)c(Cc3ccc(Br)cc3)cc2c(=O)n(C)c1=O Show InChI InChI=1S/C16H14BrN3O3/c1-19-13-12(15(22)20(2)16(19)23)8-10(14(21)18-13)7-9-3-5-11(17)6-4-9/h3-6,8H,7H2,1-2H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	22
COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9242982 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FF6
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM203457 (US9242982, 1i) Show SMILES Cn1c2[nH]c(=O)c(Cc3ccccc3Br)cc2c(=O)n(C)c1=O Show InChI InChI=1S/C16H14BrN3O3/c1-19-13-11(15(22)20(2)16(19)23)8-10(14(21)18-13)7-9-5-3-4-6-12(9)17/h3-6,8H,7H2,1-2H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	22
COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9242982 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FF6
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM205353 (US9249139, 1j) Show SMILES CCOC(=O)c1cc(Cc2cccc(Br)c2)c(=O)n2CCCc12 Show InChI InChI=1S/C18H18BrNO3/c1-2-23-18(22)15-11-13(9-12-5-3-6-14(19)10-12)17(21)20-8-4-7-16(15)20/h3,5-6,10-11H,2,4,7-9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.3	n/a	n/a	n/a	n/a	n/a	22
Council of Scientific & Industrial Research US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9249139 (2016) BindingDB Entry DOI: 10.7270/Q27W6B1M
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM203455 (US9242982, 1g) Show SMILES Cn1c2[nH]c(=O)c(Cc3ccc(Cl)cc3)cc2c(=O)n(C)c1=O Show InChI InChI=1S/C16H14ClN3O3/c1-19-13-12(15(22)20(2)16(19)23)8-10(14(21)18-13)7-9-3-5-11(17)6-4-9/h3-6,8H,7H2,1-2H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	22
COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9242982 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FF6
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM205346 (US9249139, 1c) Show SMILES CCOC(=O)c1cc(Cc2cccc(F)c2)c(=O)n2CCCc12 Show InChI InChI=1S/C18H18FNO3/c1-2-23-18(22)15-11-13(9-12-5-3-6-14(19)10-12)17(21)20-8-4-7-16(15)20/h3,5-6,10-11H,2,4,7-9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.5	n/a	n/a	n/a	n/a	n/a	22
Council of Scientific & Industrial Research US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9249139 (2016) BindingDB Entry DOI: 10.7270/Q27W6B1M
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM203451 (US9242982, 1c) Show SMILES Cn1c2[nH]c(=O)c(Cc3cccc(F)c3)cc2c(=O)n(C)c1=O Show InChI InChI=1S/C16H14FN3O3/c1-19-13-12(15(22)20(2)16(19)23)8-10(14(21)18-13)6-9-4-3-5-11(17)7-9/h3-5,7-8H,6H2,1-2H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32.3	n/a	n/a	n/a	n/a	n/a	22
COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9242982 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FF6
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM203450 (US9242982, 1b) Show SMILES Cn1c2[nH]c(=O)c(Cc3ccccc3F)cc2c(=O)n(C)c1=O Show InChI InChI=1S/C16H14FN3O3/c1-19-13-11(15(22)20(2)16(19)23)8-10(14(21)18-13)7-9-5-3-4-6-12(9)17/h3-6,8H,7H2,1-2H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	48.8	n/a	n/a	n/a	n/a	n/a	22
COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9242982 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FF6
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM205354 (US9249139, 1k) Show SMILES CCOC(=O)c1cc(Cc2ccc(Br)cc2)c(=O)n2CCCc12 Show InChI InChI=1S/C18H18BrNO3/c1-2-23-18(22)15-11-13(10-12-5-7-14(19)8-6-12)17(21)20-9-3-4-16(15)20/h5-8,11H,2-4,9-10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	67.3	n/a	n/a	n/a	n/a	n/a	22
Council of Scientific & Industrial Research US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9249139 (2016) BindingDB Entry DOI: 10.7270/Q27W6B1M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by N...				Eur J Med Chem 71: 53-66 (2014) Article DOI: 10.1016/j.ejmech.2013.10.043 BindingDB Entry DOI: 10.7270/Q2H996P7
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM205350 (US9249139, 1g) Show SMILES CCOC(=O)c1cc(Cc2ccc(Cl)cc2)c(=O)n2CCCc12 Show InChI InChI=1S/C18H18ClNO3/c1-2-23-18(22)15-11-13(10-12-5-7-14(19)8-6-12)17(21)20-9-3-4-16(15)20/h5-8,11H,2-4,9-10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	22
Council of Scientific & Industrial Research US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9249139 (2016) BindingDB Entry DOI: 10.7270/Q27W6B1M
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM205348 (US9249139, 1e) Show SMILES CCOC(=O)c1cc(Cc2ccccc2Cl)c(=O)n2CCCc12 Show InChI InChI=1S/C18H18ClNO3/c1-2-23-18(22)14-11-13(10-12-6-3-4-7-15(12)19)17(21)20-9-5-8-16(14)20/h3-4,6-7,11H,2,5,8-10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	22
Council of Scientific & Industrial Research US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9249139 (2016) BindingDB Entry DOI: 10.7270/Q27W6B1M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50444638 (CHEMBL3098361) Show SMILES OC(=O)c1ccc(cc1)N1C(=S)S\C(=C/C(=C/c2ccccc2)/C#N)C1=O Show InChI InChI=1S/C20H12N2O3S2/c21-12-14(10-13-4-2-1-3-5-13)11-17-18(23)22(20(26)27-17)16-8-6-15(7-9-16)19(24)25/h1-11H,(H,24,25)/b14-10-,17-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by N...				Eur J Med Chem 71: 53-66 (2014) Article DOI: 10.1016/j.ejmech.2013.10.043 BindingDB Entry DOI: 10.7270/Q2H996P7
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM205344 (US9249139, 1a) Show SMILES CCOC(=O)c1cc(Cc2ccccc2)c(=O)n2CCCc12 Show InChI InChI=1S/C18H19NO3/c1-2-22-18(21)15-12-14(11-13-7-4-3-5-8-13)17(20)19-10-6-9-16(15)19/h3-5,7-8,12H,2,6,9-11H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	435	n/a	n/a	n/a	n/a	n/a	22
Council of Scientific & Industrial Research US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9249139 (2016) BindingDB Entry DOI: 10.7270/Q27W6B1M
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM205351 (US9249139, 1h) Show SMILES CCOC(=O)c1cc(Cc2ccc(Cl)cc2Cl)c(=O)n2CCCc12 Show InChI InChI=1S/C18H17Cl2NO3/c1-2-24-18(23)14-9-12(17(22)21-7-3-4-16(14)21)8-11-5-6-13(19)10-15(11)20/h5-6,9-10H,2-4,7-8H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	577	n/a	n/a	n/a	n/a	n/a	22
Council of Scientific & Industrial Research US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9249139 (2016) BindingDB Entry DOI: 10.7270/Q27W6B1M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50444641 (CHEMBL3098447) Show SMILES OC(=O)CN1C(=S)S\C(=C/C(=C/c2ccco2)/C#N)C1=O Show InChI InChI=1S/C13H8N2O4S2/c14-6-8(4-9-2-1-3-19-9)5-10-12(18)15(7-11(16)17)13(20)21-10/h1-5H,7H2,(H,16,17)/b8-4-,10-5-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by N...				Eur J Med Chem 71: 53-66 (2014) Article DOI: 10.1016/j.ejmech.2013.10.043 BindingDB Entry DOI: 10.7270/Q2H996P7
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50444640 (CHEMBL3098450) Show SMILES Cc1ccc(C=C(C=C2SC(S)=NC2=O)C#N)cc1 |w:5.4,7.6,c:11| Show InChI InChI=1S/C14H10N2OS2/c1-9-2-4-10(5-3-9)6-11(8-15)7-12-13(17)16-14(18)19-12/h2-7H,1H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by N...				Eur J Med Chem 71: 53-66 (2014) Article DOI: 10.1016/j.ejmech.2013.10.043 BindingDB Entry DOI: 10.7270/Q2H996P7
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50444642 (CHEMBL3098459) Show SMILES OC(=O)CN1C(=S)S\C(=C/C(=C/c2ccccc2)/C#N)C1=O Show InChI InChI=1S/C15H10N2O3S2/c16-8-11(6-10-4-2-1-3-5-10)7-12-14(20)17(9-13(18)19)15(21)22-12/h1-7H,9H2,(H,18,19)/b11-6-,12-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by N...				Eur J Med Chem 71: 53-66 (2014) Article DOI: 10.1016/j.ejmech.2013.10.043 BindingDB Entry DOI: 10.7270/Q2H996P7
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50444639 (CHEMBL3098360) Show SMILES SC1=NC(=O)C(S1)=CC(=Cc1cccs1)C#N |w:9.10,7.8,t:1| Show InChI InChI=1S/C11H6N2OS3/c12-6-7(4-8-2-1-3-16-8)5-9-10(14)13-11(15)17-9/h1-5H,(H,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by N...				Eur J Med Chem 71: 53-66 (2014) Article DOI: 10.1016/j.ejmech.2013.10.043 BindingDB Entry DOI: 10.7270/Q2H996P7
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM205347 (US9249139, 1d) Show SMILES CCOC(=O)c1cc(Cc2ccc(F)cc2)c(=O)n2CCCc12 Show InChI InChI=1S/C18H18FNO3/c1-2-23-18(22)15-11-13(10-12-5-7-14(19)8-6-12)17(21)20-9-3-4-16(15)20/h5-8,11H,2-4,9-10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	22
Council of Scientific & Industrial Research US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9249139 (2016) BindingDB Entry DOI: 10.7270/Q27W6B1M
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM50485540 (CHEMBL2069990) Show SMILES Cc1ccc(Cc2cc(C#N)c(C)[nH]c2=O)cc1 Show InChI InChI=1S/C15H14N2O/c1-10-3-5-12(6-4-10)7-13-8-14(9-16)11(2)17-15(13)18/h3-6,8H,7H2,1-2H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of PDE3 by Biomol Green quantizyme assay system				Bioorg Med Chem Lett 22: 6010-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.019 BindingDB Entry DOI: 10.7270/Q2P84FRB
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM50485536 (CHEMBL2069919) Show SMILES COC(=O)c1cc(Cc2ccccc2Cl)c(=O)[nH]c1C Show InChI InChI=1S/C15H14ClNO3/c1-9-12(15(19)20-2)8-11(14(18)17-9)7-10-5-3-4-6-13(10)16/h3-6,8H,7H2,1-2H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of PDE3 by Biomol Green quantizyme assay system				Bioorg Med Chem Lett 22: 6010-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.019 BindingDB Entry DOI: 10.7270/Q2P84FRB
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM15296 (6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...) Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	22
Council of Scientific & Industrial Research US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9249139 (2016) BindingDB Entry DOI: 10.7270/Q27W6B1M
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM15296 (6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...) Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of PDE3 by Biomol Green quantizyme assay system				Bioorg Med Chem Lett 22: 6010-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.019 BindingDB Entry DOI: 10.7270/Q2P84FRB
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM15296 (6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...) Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	22
COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9242982 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FF6
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50613747 (CHEMBL5280124) Show SMILES [H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](OCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)\C=C\c1ccc(F)cc1Cl)C(N)=O)C(O)=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 |r,wU:54.58,64.69,9.9,16.16,5.5,3.3,wD:60.84,85.91,18.18,14.44,30.36,43.48,28.30,1.0,c:11,(68.41,-30.57,;67.11,-31.33,;67.11,-29.8,;65.75,-29.02,;67.08,-28.24,;64.43,-29.8,;63.36,-30.87,;64.43,-28.27,;65.75,-27.49,;63.11,-27.5,;63.08,-25.98,;60.48,-29.01,;59.15,-29.77,;57.83,-28.99,;59.13,-31.31,;60.45,-32.08,;61.78,-31.33,;61.78,-32.86,;63.11,-32.1,;63.11,-33.63,;61.76,-34.39,;60.45,-33.61,;61.76,-35.91,;63.08,-36.68,;63.08,-38.21,;61.74,-38.98,;60.41,-38.21,;60.43,-36.68,;64.43,-31.33,;65.75,-30.57,;65.75,-32.1,;66.52,-33.44,;67.85,-32.68,;64.66,-33.17,;64.66,-34.71,;65.99,-35.49,;63.32,-35.47,;61.81,-29.79,;62.55,-28.45,;63.34,-29.79,;57.81,-32.05,;56.48,-31.28,;56.5,-29.75,;55.15,-32.03,;55.13,-33.56,;53.78,-34.32,;53.8,-35.87,;52.47,-36.66,;51.12,-35.9,;52.49,-38.21,;51.15,-39,;51.17,-40.55,;49.84,-41.34,;49.86,-42.89,;48.52,-43.68,;47.17,-42.92,;47.15,-41.37,;48.49,-40.58,;45.8,-40.61,;45.78,-39.06,;44.43,-38.3,;44.41,-36.75,;43.06,-35.99,;41.73,-36.78,;43.04,-34.44,;44.38,-33.65,;41.69,-33.69,;41.67,-32.14,;43.01,-31.34,;40.32,-31.38,;40.3,-29.83,;38.95,-29.07,;38.94,-27.52,;37.59,-26.76,;36.26,-27.56,;34.9,-26.8,;36.28,-29.11,;37.63,-29.86,;37.66,-31.41,;43.1,-39.09,;43.12,-40.64,;41.75,-38.33,;48.54,-45.23,;47.21,-46.02,;49.89,-45.99,;53.83,-31.24,;53.83,-29.72,;52.53,-28.94,;51.18,-29.71,;52.53,-27.42,;51.2,-26.65,;51.2,-25.12,;49.87,-27.42,;49.86,-25.89,;52.51,-32.01,;52.51,-33.54,;51.15,-34.3,;49.83,-33.52,;49.85,-31.98,;51.18,-31.23,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM50485544 (CHEMBL2069920) Show SMILES CCOC(=O)c1cc(Cc2ccccc2)c(=O)[nH]c1-c1ccccc1 Show InChI InChI=1S/C21H19NO3/c1-2-25-21(24)18-14-17(13-15-9-5-3-6-10-15)20(23)22-19(18)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of PDE3 by Biomol Green quantizyme assay system				Bioorg Med Chem Lett 22: 6010-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.019 BindingDB Entry DOI: 10.7270/Q2P84FRB
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM50485546 (CHEMBL2069912) Show SMILES CCOC(=O)c1cc(Cc2cccc(Cl)c2)c(=O)[nH]c1C Show InChI InChI=1S/C16H16ClNO3/c1-3-21-16(20)14-9-12(15(19)18-10(14)2)7-11-5-4-6-13(17)8-11/h4-6,8-9H,3,7H2,1-2H3,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of PDE3 by Biomol Green quantizyme assay system				Bioorg Med Chem Lett 22: 6010-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.019 BindingDB Entry DOI: 10.7270/Q2P84FRB
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM50485538 (CHEMBL2069983) Show SMILES CCOC(=O)c1cc(Cc2ccc(Br)cc2)c(=O)[nH]c1-c1ccccc1 Show InChI InChI=1S/C21H18BrNO3/c1-2-26-21(25)18-13-16(12-14-8-10-17(22)11-9-14)20(24)23-19(18)15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of PDE3 by Biomol Green quantizyme assay system				Bioorg Med Chem Lett 22: 6010-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.019 BindingDB Entry DOI: 10.7270/Q2P84FRB
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50613746 (CHEMBL5271581) Show SMILES [H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](OC(=O)CCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)\C=C\c1ccc(F)cc1Cl)C(N)=O)C(O)=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 |r,wU:9.9,16.16,5.5,3.3,56.60,66.71,wD:87.93,18.18,14.44,30.36,43.48,28.30,1.0,62.86,c:11,(63.35,-3.25,;62.05,-4.02,;62.05,-2.49,;60.7,-1.71,;62.03,-.93,;59.38,-2.49,;58.31,-3.56,;59.38,-.95,;60.7,-.18,;58.06,-.19,;58.03,1.33,;55.43,-1.7,;54.11,-2.46,;52.78,-1.67,;54.08,-4,;55.41,-4.76,;56.73,-4.01,;56.73,-5.55,;58.06,-4.79,;58.06,-6.32,;56.71,-7.08,;55.41,-6.3,;56.71,-8.6,;58.03,-9.36,;58.03,-10.9,;56.69,-11.66,;55.36,-10.89,;55.38,-9.36,;59.38,-4.02,;60.7,-3.25,;60.7,-4.79,;61.47,-6.12,;62.8,-5.37,;59.61,-5.86,;59.61,-7.39,;60.94,-8.17,;58.27,-8.16,;56.76,-2.48,;57.5,-1.14,;58.15,-2.12,;52.76,-4.74,;51.43,-3.97,;51.45,-2.44,;50.11,-4.72,;50.09,-6.25,;51.42,-7.04,;52.77,-6.29,;51.39,-8.59,;52.72,-9.39,;52.7,-10.94,;51.34,-11.69,;54.03,-11.73,;54,-13.28,;55.33,-14.08,;55.31,-15.62,;56.64,-16.42,;56.61,-17.97,;55.26,-18.72,;53.93,-17.93,;53.96,-16.38,;52.58,-18.68,;51.25,-17.89,;49.9,-18.64,;48.57,-17.84,;47.21,-18.6,;47.19,-20.15,;45.88,-17.8,;45.91,-16.25,;44.53,-18.56,;43.2,-17.76,;43.23,-16.21,;41.85,-18.52,;40.52,-17.72,;39.17,-18.47,;37.84,-17.68,;36.49,-18.43,;36.47,-19.98,;35.12,-20.74,;37.81,-20.77,;39.15,-20.02,;40.49,-20.81,;49.87,-20.19,;51.2,-20.98,;48.52,-20.94,;57.94,-18.76,;57.92,-20.31,;59.3,-18.01,;48.79,-3.93,;48.79,-2.41,;47.49,-1.63,;46.14,-2.39,;47.49,-.11,;46.16,.66,;46.16,2.19,;44.83,-.11,;44.82,1.42,;47.47,-4.69,;47.47,-6.23,;46.11,-6.99,;44.79,-6.2,;44.81,-4.67,;46.14,-3.92,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM203449 (US9242982, 1a) Show SMILES Cn1c2[nH]c(=O)c(Cc3ccccc3)cc2c(=O)n(C)c1=O Show InChI InChI=1S/C16H15N3O3/c1-18-13-12(15(21)19(2)16(18)22)9-11(14(20)17-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	22
COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH US Patent					Assay Description PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...				US Patent US9242982 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FF6
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50613747 (CHEMBL5280124) Show SMILES [H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](OCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)\C=C\c1ccc(F)cc1Cl)C(N)=O)C(O)=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 |r,wU:54.58,64.69,9.9,16.16,5.5,3.3,wD:60.84,85.91,18.18,14.44,30.36,43.48,28.30,1.0,c:11,(68.41,-30.57,;67.11,-31.33,;67.11,-29.8,;65.75,-29.02,;67.08,-28.24,;64.43,-29.8,;63.36,-30.87,;64.43,-28.27,;65.75,-27.49,;63.11,-27.5,;63.08,-25.98,;60.48,-29.01,;59.15,-29.77,;57.83,-28.99,;59.13,-31.31,;60.45,-32.08,;61.78,-31.33,;61.78,-32.86,;63.11,-32.1,;63.11,-33.63,;61.76,-34.39,;60.45,-33.61,;61.76,-35.91,;63.08,-36.68,;63.08,-38.21,;61.74,-38.98,;60.41,-38.21,;60.43,-36.68,;64.43,-31.33,;65.75,-30.57,;65.75,-32.1,;66.52,-33.44,;67.85,-32.68,;64.66,-33.17,;64.66,-34.71,;65.99,-35.49,;63.32,-35.47,;61.81,-29.79,;62.55,-28.45,;63.34,-29.79,;57.81,-32.05,;56.48,-31.28,;56.5,-29.75,;55.15,-32.03,;55.13,-33.56,;53.78,-34.32,;53.8,-35.87,;52.47,-36.66,;51.12,-35.9,;52.49,-38.21,;51.15,-39,;51.17,-40.55,;49.84,-41.34,;49.86,-42.89,;48.52,-43.68,;47.17,-42.92,;47.15,-41.37,;48.49,-40.58,;45.8,-40.61,;45.78,-39.06,;44.43,-38.3,;44.41,-36.75,;43.06,-35.99,;41.73,-36.78,;43.04,-34.44,;44.38,-33.65,;41.69,-33.69,;41.67,-32.14,;43.01,-31.34,;40.32,-31.38,;40.3,-29.83,;38.95,-29.07,;38.94,-27.52,;37.59,-26.76,;36.26,-27.56,;34.9,-26.8,;36.28,-29.11,;37.63,-29.86,;37.66,-31.41,;43.1,-39.09,;43.12,-40.64,;41.75,-38.33,;48.54,-45.23,;47.21,-46.02,;49.89,-45.99,;53.83,-31.24,;53.83,-29.72,;52.53,-28.94,;51.18,-29.71,;52.53,-27.42,;51.2,-26.65,;51.2,-25.12,;49.87,-27.42,;49.86,-25.89,;52.51,-32.01,;52.51,-33.54,;51.15,-34.3,;49.83,-33.52,;49.85,-31.98,;51.18,-31.23,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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