Compile Data Set for Download or QSAR

Found 930 hits with Last Name = 'miyazaki' and Initial = 'k'   

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
Homoisocitrate dehydrogenase, mitochondrial (Saccharomyces cerevisiae)	BDBM23220 ((1R,2Z)-1-hydroxypent-2-ene-1,2,5-tricarboxylic ac...) Show SMILES [H][C@](O)(C(O)=O)C(=C\CCC(O)=O)\C(O)=O |r| Show InChI InChI=1S/C8H10O7/c9-5(10)3-1-2-4(7(12)13)6(11)8(14)15/h2,6,11H,1,3H2,(H,9,10)(H,12,13)(H,14,15)/b4-2-/t6-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	7.20E+4	-24.5	n/a	n/a	n/a	n/a	n/a	7.8	36
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase (Deinococcus radiodurans)	BDBM23221 ((2S,3R)-2-ethenyl-3-hydroxybutanedioic acid | Viny...) Show SMILES [H][C@](O)(C(O)=O)[C@]([H])(C=C)C(O)=O |r| Show InChI InChI=1S/C6H8O5/c1-2-3(5(8)9)4(7)6(10)11/h2-4,7H,1H2,(H,8,9)(H,10,11)/t3-,4+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	8.80E+4	-23.4	n/a	n/a	n/a	n/a	n/a	7.8	28
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase (Deinococcus radiodurans)	BDBM23220 ((1R,2Z)-1-hydroxypent-2-ene-1,2,5-tricarboxylic ac...) Show SMILES [H][C@](O)(C(O)=O)C(=C\CCC(O)=O)\C(O)=O |r| Show InChI InChI=1S/C8H10O7/c9-5(10)3-1-2-4(7(12)13)6(11)8(14)15/h2,6,11H,1,3H2,(H,9,10)(H,12,13)(H,14,15)/b4-2-/t6-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.60E+5	-20.7	n/a	n/a	n/a	n/a	n/a	7.8	28
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase, mitochondrial (Saccharomyces cerevisiae)	BDBM23218 ((2R,3Z)-2-hydroxy-3-(3-hydroxypropylidene)butanedi...) Show SMILES [H][C@](O)(C(O)=O)C(=C\CCO)\C(O)=O |r| Show InChI InChI=1S/C7H10O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h2,5,8-9H,1,3H2,(H,10,11)(H,12,13)/b4-2-/t5-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	5.10E+5	-19.5	n/a	n/a	n/a	n/a	n/a	7.8	36
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase, mitochondrial (Saccharomyces cerevisiae)	BDBM23219 ((1R,2E)-1-hydroxypent-2-ene-1,2,5-tricarboxylic ac...) Show SMILES [H][C@](O)(C(O)=O)C(=C/CCC(O)=O)\C(O)=O |r| Show InChI InChI=1S/C8H10O7/c9-5(10)3-1-2-4(7(12)13)6(11)8(14)15/h2,6,11H,1,3H2,(H,9,10)(H,12,13)(H,14,15)/b4-2+/t6-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	7.90E+5	-18.4	n/a	n/a	n/a	n/a	n/a	7.8	36
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase, mitochondrial (Saccharomyces cerevisiae)	BDBM23217 ((2R,3E)-2-hydroxy-3-(3-hydroxypropylidene)butanedi...) Show SMILES [H][C@](O)(C(O)=O)C(=C/CCO)\C(O)=O |r| Show InChI InChI=1S/C7H10O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h2,5,8-9H,1,3H2,(H,10,11)(H,12,13)/b4-2+/t5-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.40E+6	-16.9	n/a	n/a	n/a	n/a	n/a	7.8	36
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase (Deinococcus radiodurans)	BDBM23219 ((1R,2E)-1-hydroxypent-2-ene-1,2,5-tricarboxylic ac...) Show SMILES [H][C@](O)(C(O)=O)C(=C/CCC(O)=O)\C(O)=O |r| Show InChI InChI=1S/C8H10O7/c9-5(10)3-1-2-4(7(12)13)6(11)8(14)15/h2,6,11H,1,3H2,(H,9,10)(H,12,13)(H,14,15)/b4-2+/t6-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	3.10E+6	-14.5	n/a	n/a	n/a	n/a	n/a	7.8	28
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase (Deinococcus radiodurans)	BDBM23217 ((2R,3E)-2-hydroxy-3-(3-hydroxypropylidene)butanedi...) Show SMILES [H][C@](O)(C(O)=O)C(=C/CCO)\C(O)=O |r| Show InChI InChI=1S/C7H10O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h2,5,8-9H,1,3H2,(H,10,11)(H,12,13)/b4-2+/t5-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	5.20E+6	-13.2	n/a	n/a	n/a	n/a	n/a	7.8	28
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase (Deinococcus radiodurans)	BDBM23218 ((2R,3Z)-2-hydroxy-3-(3-hydroxypropylidene)butanedi...) Show SMILES [H][C@](O)(C(O)=O)C(=C\CCO)\C(O)=O |r| Show InChI InChI=1S/C7H10O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h2,5,8-9H,1,3H2,(H,10,11)(H,12,13)/b4-2-/t5-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.53E+7	-10.5	n/a	n/a	n/a	n/a	n/a	7.8	28
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089825 (1-[4-(3-Chloro-4-methoxy-benzylamino)-6-nitro-phth...) Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(cc23)[N+]([O-])=O)cc1Cl Show InChI InChI=1S/C21H22ClN5O4/c1-31-19-5-2-13(10-18(19)22)12-23-20-17-11-14(27(29)30)3-4-16(17)21(25-24-20)26-8-6-15(28)7-9-26/h2-5,10-11,15,28H,6-9,12H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089837 (4-(3-Chloro-4-methoxy-benzylamino)-1-thiomorpholin...) Show SMILES COc1ccc(CNc2nnc(N3CCSCC3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C21H20ClN5OS/c1-28-19-5-3-15(11-18(19)22)13-24-20-17-10-14(12-23)2-4-16(17)21(26-25-20)27-6-8-29-9-7-27/h2-5,10-11H,6-9,13H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50058752 (CHEMBL3335630) Show SMILES COCCOCc1ccc(CN2CCN(Cc3ccc(cc3)C(=O)Nc3ccc(cc3)C#CC34CC5CC(CC(C5)C3)C4)[C@@H](C)C2)cn1 |r,THB:32:33:36:40.38.39,38:37:34:40.39.41,38:39:36.37.42:34,41:39:36:42.33.34,41:33:36:40.38.39| Show InChI InChI=1S/C41H50N4O3/c1-30-26-44(27-33-7-12-39(42-25-33)29-48-18-17-47-2)15-16-45(30)28-32-3-8-37(9-4-32)40(46)43-38-10-5-31(6-11-38)13-14-41-22-34-19-35(23-41)21-36(20-34)24-41/h3-12,25,30,34-36H,15-24,26-29H2,1-2H3,(H,43,46)/t30-,34?,35?,36?,41?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay				Bioorg Med Chem 22: 5513-29 (2014) Article DOI: 10.1016/j.bmc.2014.07.020 BindingDB Entry DOI: 10.7270/Q24J0GSG
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089826 (1-[4-(3-Chloro-4-methoxy-benzylamino)-6-cyano-phth...) Show SMILES COc1ccc(CNc2nnc(N3CCC(CC3)C(N)=O)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C23H23ClN6O2/c1-32-20-5-3-15(11-19(20)24)13-27-22-18-10-14(12-25)2-4-17(18)23(29-28-22)30-8-6-16(7-9-30)21(26)31/h2-5,10-11,16H,6-9,13H2,1H3,(H2,26,31)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089807 (4-(3-Chloro-4-methoxy-benzylamino)-1-(4-oxo-piperi...) Show SMILES COc1ccc(CNc2nnc(N3CCC(=O)CC3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C22H20ClN5O2/c1-30-20-5-3-15(11-19(20)23)13-25-21-18-10-14(12-24)2-4-17(18)22(27-26-21)28-8-6-16(29)7-9-28/h2-5,10-11H,6-9,13H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089833 (4-(3-Chloro-4-methoxy-benzylamino)-1-piperidin-1-y...) Show SMILES COc1ccc(CNc2nnc(N3CCCCC3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C22H22ClN5O/c1-29-20-8-6-16(12-19(20)23)14-25-21-18-11-15(13-24)5-7-17(18)22(27-26-21)28-9-3-2-4-10-28/h5-8,11-12H,2-4,9-10,14H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089814 (4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxy-pi...) Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C22H22ClN5O2/c1-30-20-5-3-15(11-19(20)23)13-25-21-18-10-14(12-24)2-4-17(18)22(27-26-21)28-8-6-16(29)7-9-28/h2-5,10-11,16,29H,6-9,13H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 5 (PDE5) from porcine platelets, range 0.442-0.710				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089827 (4-(3-Chloro-4-methoxy-benzylamino)-1-[4-(2-hydroxy...) Show SMILES COc1ccc(CNc2nnc(N3CCC(CCO)CC3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C24H26ClN5O2/c1-32-22-5-3-18(13-21(22)25)15-27-23-20-12-17(14-26)2-4-19(20)24(29-28-23)30-9-6-16(7-10-30)8-11-31/h2-5,12-13,16,31H,6-11,15H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089821 (4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxy-4-...) Show SMILES COc1ccc(CNc2nnc(N3CCC(C)(O)CC3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C23H24ClN5O2/c1-23(30)7-9-29(10-8-23)22-17-5-3-15(13-25)11-18(17)21(27-28-22)26-14-16-4-6-20(31-2)19(24)12-16/h3-6,11-12,30H,7-10,14H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50369544 (CHEMBL545012) Show SMILES COc1ccc(CNc2nnc(N3CCS(=O)CC3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C21H20ClN5O2S/c1-29-19-5-3-15(11-18(19)22)13-24-20-17-10-14(12-23)2-4-16(17)21(26-25-20)27-6-8-30(28)9-7-27/h2-5,10-11H,6-9,13H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089815 (1-[4-(3-Chloro-4-methoxy-benzylamino)-6-trifluorom...) Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(cc23)C(F)(F)F)cc1Cl Show InChI InChI=1S/C22H22ClF3N4O2/c1-32-19-5-2-13(10-18(19)23)12-27-20-17-11-14(22(24,25)26)3-4-16(17)21(29-28-20)30-8-6-15(31)7-9-30/h2-5,10-11,15,31H,6-9,12H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089841 (4-(3-Chloro-4-methoxy-benzylamino)-1-(1,1-dioxo-1l...) Show SMILES COc1ccc(CNc2nnc(N3CCS(=O)(=O)CC3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C21H20ClN5O3S/c1-30-19-5-3-15(11-18(19)22)13-24-20-17-10-14(12-23)2-4-16(17)21(26-25-20)27-6-8-31(28,29)9-7-27/h2-5,10-11H,6-9,13H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089832 (1-[6,7-Dichloro-4-(3-chloro-4-methoxy-benzylamino)...) Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3cc(Cl)c(Cl)cc23)cc1Cl Show InChI InChI=1S/C21H21Cl3N4O2/c1-30-19-3-2-12(8-18(19)24)11-25-20-14-9-16(22)17(23)10-15(14)21(27-26-20)28-6-4-13(29)5-7-28/h2-3,8-10,13,29H,4-7,11H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089820 (4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxymet...) Show SMILES COc1ccc(CNc2nnc(N3CCC(CO)CC3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C23H24ClN5O2/c1-31-21-5-3-17(11-20(21)24)13-26-22-19-10-16(12-25)2-4-18(19)23(28-27-22)29-8-6-15(14-30)7-9-29/h2-5,10-11,15,30H,6-9,13-14H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089830 (4-(3-Chloro-4-methoxy-benzylamino)-1-(4-methyl-pip...) Show SMILES COc1ccc(CNc2nnc(N3CCN(C)CC3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C22H23ClN6O/c1-28-7-9-29(10-8-28)22-17-5-3-15(13-24)11-18(17)21(26-27-22)25-14-16-4-6-20(30-2)19(23)12-16/h3-6,11-12H,7-10,14H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50058757 (CHEMBL3335423) Show SMILES O=C(Nc1ccc(cc1)C#CC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 |THB:10:11:14:18.16.17,16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C36H40N4O/c41-35(33-7-3-28(4-8-33)25-39-14-16-40(17-15-39)26-29-2-1-13-37-24-29)38-34-9-5-27(6-10-34)11-12-36-21-30-18-31(22-36)20-32(19-30)23-36/h1-10,13,24,30-32H,14-23,25-26H2,(H,38,41)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay				Bioorg Med Chem 22: 5513-29 (2014) Article DOI: 10.1016/j.bmc.2014.07.020 BindingDB Entry DOI: 10.7270/Q24J0GSG
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50058753 (CHEMBL3335427) Show SMILES COCc1ccc(CN2CCN(Cc3ccc(cc3)C(=O)Nc3ccc(cc3)C#CC34CC5CC(CC(C5)C3)C4)[C@@H](C)C2)cn1 |r,THB:29:30:33:37.35.36,35:34:31:37.36.38,35:36:33.34.39:31,38:36:33:39.30.31,38:30:33:37.35.36| Show InChI InChI=1S/C39H46N4O2/c1-28-24-42(25-31-7-12-37(27-45-2)40-23-31)15-16-43(28)26-30-3-8-35(9-4-30)38(44)41-36-10-5-29(6-11-36)13-14-39-20-32-17-33(21-39)19-34(18-32)22-39/h3-12,23,28,32-34H,15-22,24-27H2,1-2H3,(H,41,44)/t28-,32?,33?,34?,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay				Bioorg Med Chem 22: 5513-29 (2014) Article DOI: 10.1016/j.bmc.2014.07.020 BindingDB Entry DOI: 10.7270/Q24J0GSG
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089816 (4-(3-Chloro-4-methoxy-benzylamino)-1-(4-methoxy-pi...) Show SMILES COC1CCN(CC1)c1nnc(NCc2ccc(OC)c(Cl)c2)c2cc(ccc12)C#N Show InChI InChI=1S/C23H24ClN5O2/c1-30-17-7-9-29(10-8-17)23-18-5-3-15(13-25)11-19(18)22(27-28-23)26-14-16-4-6-21(31-2)20(24)12-16/h3-6,11-12,17H,7-10,14H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089809 (4-(3-Chloro-4-methoxy-benzylamino)-1-piperazin-1-y...) Show SMILES COc1ccc(CNc2nnc(N3CCNCC3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C21H21ClN6O/c1-29-19-5-3-15(11-18(19)22)13-25-20-17-10-14(12-23)2-4-16(17)21(27-26-20)28-8-6-24-7-9-28/h2-5,10-11,24H,6-9,13H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089838 (4-(3-Chloro-4-methoxy-benzylamino)-1-(3-hydroxy-pi...) Show SMILES COc1ccc(CNc2nnc(N3CCCC(O)C3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C22H22ClN5O2/c1-30-20-7-5-15(10-19(20)23)12-25-21-18-9-14(11-24)4-6-17(18)22(27-26-21)28-8-2-3-16(29)13-28/h4-7,9-10,16,29H,2-3,8,12-13H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089842 (4-(3-Chloro-4-methoxy-benzylamino)-1-imidazol-1-yl...) Show SMILES COc1ccc(CNc2nnc(-n3ccnc3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C20H15ClN6O/c1-28-18-5-3-14(9-17(18)21)11-24-19-16-8-13(10-22)2-4-15(16)20(26-25-19)27-7-6-23-12-27/h2-9,12H,11H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089818 (4-(3-Chloro-4-methoxy-benzylamino)-1-[4-(2-hydroxy...) Show SMILES COc1ccc(CNc2nnc(N3CCN(CCO)CC3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C23H25ClN6O2/c1-32-21-5-3-17(13-20(21)24)15-26-22-19-12-16(14-25)2-4-18(19)23(28-27-22)30-8-6-29(7-9-30)10-11-31/h2-5,12-13,31H,6-11,15H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089812 (4-(3-Chloro-4-methoxy-benzylamino)-1-(3,6-dihydro-...) Show SMILES COc1ccc(CNc2nnc(N3CCC=CC3)c3ccc(cc23)C#N)cc1Cl |c:15| Show InChI InChI=1S/C22H20ClN5O/c1-29-20-8-6-16(12-19(20)23)14-25-21-18-11-15(13-24)5-7-17(18)22(27-26-21)28-9-3-2-4-10-28/h2-3,5-8,11-12H,4,9-10,14H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307410 (US10150728, Example I-639) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CCC3)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.94,-2.37,;6.94,-.83,;5.61,-.06,;4.27,-.83,;2.94,-.06,;2.94,1.48,;1.61,2.25,;.27,1.48,;.27,-.06,;1.61,-.83,;-1.06,2.25,;-2.4,1.48,;-2.56,-.05,;-4.06,-.37,;-4.83,-1.71,;-4.06,-3.04,;-6.37,-1.71,;-7.14,-.37,;-8.68,-.37,;-9.45,-1.71,;-10.94,-2.11,;-10.54,-3.59,;-9.05,-3.19,;-6.37,.96,;-7.14,2.29,;-4.83,.96,;-3.8,2.11,;-4.2,3.59,;8.27,-.06,;9.61,-.83,;10.94,-.06,;9.61,-2.37,)| Show InChI InChI=1S/C23H31F2N3O4/c1-13(26-14(2)29)12-30-15-7-9-17(10-8-15)32-23-27-21-18(24)11-19(31-16-5-4-6-16)20(25)22(21)28(23)3/h11,13,15-17H,4-10,12H2,1-3H3,(H,26,29)/t13-,15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089836 (4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxy-pi...) Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(cc23)C(N)=O)cc1Cl Show InChI InChI=1S/C22H24ClN5O3/c1-31-19-5-2-13(10-18(19)23)12-25-21-17-11-14(20(24)30)3-4-16(17)22(27-26-21)28-8-6-15(29)7-9-28/h2-5,10-11,15,29H,6-9,12H2,1H3,(H2,24,30)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307424 (US10150728, Example I-655) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)c(Cl)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.86,-2.54,;6.86,-1,;5.53,-.23,;4.2,-1,;2.86,-.23,;2.86,1.31,;1.53,2.08,;.19,1.31,;.19,-.23,;1.53,-1,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-4.14,-3.21,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-7.22,2.12,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,;8.2,-.23,;9.53,-1,;10.86,-.23,;9.53,-2.54,)| Show InChI InChI=1S/C22H29ClFN3O4/c1-12(25-13(2)28)11-29-14-4-6-16(7-5-14)31-22-26-20-17(24)10-18(30-15-8-9-15)19(23)21(20)27(22)3/h10,12,14-16H,4-9,11H2,1-3H3,(H,25,28)/t12-,14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14390 (5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089817 (4-(3-Chloro-4-methoxy-benzylamino)-1-(3-hydroxy-pr...) Show SMILES COc1ccc(CNc2nnc(NCCCO)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C20H20ClN5O2/c1-28-18-6-4-14(10-17(18)21)12-24-20-16-9-13(11-22)3-5-15(16)19(25-26-20)23-7-2-8-27/h3-6,9-10,27H,2,7-8,12H2,1H3,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50058754 (CHEMBL3335426) Show SMILES C[C@H]1CN(Cc2cccnc2)CCN1Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C#CC12CC3CC(CC(C3)C1)C2 |r,THB:31:32:35:39.37.38,37:36:33:39.38.40,37:38:35.36.41:33,40:38:35:41.32.33,40:32:35:39.37.38| Show InChI InChI=1S/C37H42N4O/c1-27-24-40(25-30-3-2-14-38-23-30)15-16-41(27)26-29-4-8-34(9-5-29)36(42)39-35-10-6-28(7-11-35)12-13-37-20-31-17-32(21-37)19-33(18-31)22-37/h2-11,14,23,27,31-33H,15-22,24-26H2,1H3,(H,39,42)/t27-,31?,32?,33?,37?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay				Bioorg Med Chem 22: 5513-29 (2014) Article DOI: 10.1016/j.bmc.2014.07.020 BindingDB Entry DOI: 10.7270/Q24J0GSG
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089823 (4-(3-Chloro-4-methoxy-benzylamino)-1-[(pyridin-2-y...) Show SMILES COc1ccc(CNc2nnc(NCc3ccccn3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C23H19ClN6O/c1-31-21-8-6-16(11-20(21)24)13-27-23-19-10-15(12-25)5-7-18(19)22(29-30-23)28-14-17-4-2-3-9-26-17/h2-11H,13-14H2,1H3,(H,27,30)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307449 (US10150728, Example I-683) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)c(F)c2n1C)NC(=O)C(F)F |r,wU:7.10,1.0,wD:4.3,(6.2,-2.54,;6.2,-1,;4.86,-.23,;3.53,-1,;2.2,-.23,;2.2,1.31,;.86,2.08,;-.47,1.31,;-.47,-.23,;.86,-1,;-1.81,2.08,;-3.14,1.31,;-3.3,-.23,;-4.81,-.55,;-5.58,-1.88,;-4.81,-3.21,;-7.12,-1.88,;-7.89,-.55,;-9.43,-.55,;-10.2,-1.88,;-11.53,-2.65,;-10.2,-3.42,;-7.12,.79,;-7.89,2.12,;-5.58,.79,;-4.55,1.93,;-4.95,3.42,;7.53,-.23,;8.86,-1,;8.86,-2.54,;10.2,-.23,;11.53,-1,;10.2,1.31,)| Show InChI InChI=1S/C22H27F4N3O4/c1-11(27-21(30)20(25)26)10-31-12-3-5-14(6-4-12)33-22-28-18-15(23)9-16(32-13-7-8-13)17(24)19(18)29(22)2/h9,11-14,20H,3-8,10H2,1-2H3,(H,27,30)/t11-,12-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307497 (US10150728, Example I-740) Show SMILES CCOc1cc(F)c2nc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)n(C)c2c1Cl |r,wU:11.10,19.20,wD:14.17,(-10.97,-1.98,;-9.43,-1.98,;-8.66,-.65,;-7.12,-.65,;-6.35,-1.98,;-4.81,-1.98,;-4.04,-3.32,;-4.04,-.65,;-2.53,-.33,;-2.37,1.2,;-1.04,1.97,;.3,1.2,;1.63,1.97,;2.97,1.2,;2.97,-.34,;1.63,-1.11,;.3,-.34,;4.3,-1.11,;5.63,-.34,;6.97,-1.11,;6.97,-2.65,;8.3,-.34,;9.63,-1.11,;10.97,-.34,;9.63,-2.65,;-3.78,1.83,;-4.18,3.32,;-4.81,.68,;-6.35,.68,;-7.12,2.02,)| Show InChI InChI=1S/C21H29ClFN3O4/c1-5-28-17-10-16(23)19-20(18(17)22)26(4)21(25-19)30-15-8-6-14(7-9-15)29-11-12(2)24-13(3)27/h10,12,14-15H,5-9,11H2,1-4H3,(H,24,27)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM306944 (US10150728, Example I-157) Show SMILES CCOc1nc2ccc(OC[C@H]3C[C@@H](C3)OC[C@H](C)NC(C)=O)nc2s1 |r,wU:11.10,17.18,wD:13.15,(-7.87,3.39,;-9.36,2.99,;-9.76,1.5,;-8.67,.42,;-8.67,-1.12,;-7.2,-1.6,;-6.58,-3.01,;-5.05,-3.17,;-4.14,-1.92,;-2.65,-2.32,;-1.56,-1.23,;-.08,-1.63,;1.26,-.86,;2.03,-2.19,;.69,-2.96,;3.51,-2.59,;4.6,-1.5,;6.09,-1.9,;6.49,-3.39,;7.18,-.81,;8.67,-1.21,;9.76,-.12,;9.07,-2.7,;-4.77,-.52,;-6.3,-.35,;-7.2,.89,)| Show InChI InChI=1S/C18H25N3O4S/c1-4-23-18-20-15-5-6-16(21-17(15)26-18)25-10-13-7-14(8-13)24-9-11(2)19-12(3)22/h5-6,11,13-14H,4,7-10H2,1-3H3,(H,19,22)/t11-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307475 (US10150728, Example I-713) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC(F)(F)C3)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(7.41,-1.6,;7.41,-.06,;6.07,.71,;4.74,-.06,;3.41,.71,;3.41,2.25,;2.07,3.02,;.74,2.25,;.74,.71,;2.07,-.06,;-.59,3.02,;-1.93,2.25,;-2.09,.72,;-3.6,.4,;-4.37,-.94,;-3.6,-2.27,;-5.91,-.94,;-6.68,.4,;-8.22,.4,;-8.99,-.94,;-10.47,-1.34,;-10.07,-2.82,;-10.07,-4.36,;-11.41,-3.59,;-8.59,-2.42,;-5.91,1.73,;-6.68,3.06,;-4.37,1.73,;-3.34,2.88,;-3.73,4.36,;8.74,.71,;10.07,-.06,;11.41,.71,;10.07,-1.6,)| Show InChI InChI=1S/C23H29F4N3O4/c1-12(28-13(2)31)11-32-14-4-6-15(7-5-14)34-22-29-20-17(24)8-18(19(25)21(20)30(22)3)33-16-9-23(26,27)10-16/h8,12,14-16H,4-7,9-11H2,1-3H3,(H,28,31)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307463 (US10150728, Example I-698) Show SMILES CCOc1c(F)cc2nc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)n(C)c2c1F |r,wU:11.10,19.20,wD:14.17,(-10.97,-1.98,;-9.43,-1.98,;-8.66,-.65,;-7.12,-.65,;-6.35,-1.98,;-7.12,-3.32,;-4.81,-1.98,;-4.04,-.65,;-2.53,-.33,;-2.37,1.2,;-1.04,1.97,;.3,1.2,;1.63,1.97,;2.97,1.2,;2.97,-.34,;1.63,-1.11,;.3,-.34,;4.3,-1.11,;5.63,-.34,;6.97,-1.11,;6.97,-2.65,;8.3,-.34,;9.63,-1.11,;10.97,-.34,;9.63,-2.65,;-3.78,1.83,;-4.18,3.32,;-4.81,.68,;-6.35,.68,;-7.12,2.02,)| Show InChI InChI=1S/C21H29F2N3O4/c1-5-28-20-16(22)10-17-19(18(20)23)26(4)21(25-17)30-15-8-6-14(7-9-15)29-11-12(2)24-13(3)27/h10,12,14-15H,5-9,11H2,1-4H3,(H,24,27)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50066450 (1-Chloro-4-(3-chloro-4-methoxy-benzylamino)-phthal...) Show SMILES COc1ccc(CNc2nnc(Cl)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C17H12Cl2N4O/c1-24-15-5-3-11(7-14(15)18)9-21-17-13-6-10(8-20)2-4-12(13)16(19)22-23-17/h2-7H,9H2,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307385 (US10150728, Example I-611) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.86,-2.54,;6.86,-1,;5.53,-.23,;4.2,-1,;2.86,-.23,;2.86,1.31,;1.53,2.08,;.19,1.31,;.19,-.23,;1.53,-1,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-4.14,-3.21,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-7.22,2.12,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,;8.2,-.23,;9.53,-1,;10.86,-.23,;9.53,-2.54,)| Show InChI InChI=1S/C22H29F2N3O4/c1-12(25-13(2)28)11-29-14-4-6-16(7-5-14)31-22-26-20-17(23)10-18(30-15-8-9-15)19(24)21(20)27(22)3/h10,12,14-16H,4-9,11H2,1-3H3,(H,25,28)/t12-,14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM306965 (US10150728, Example I-178) Show SMILES CCOc1nc2ccc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)nc2s1 |r,wU:13.16,18.19,wD:10.9,(-9.48,-2.34,;-9.48,-3.88,;-8.15,-4.65,;-6.82,-3.88,;-5.41,-4.5,;-4.38,-3.36,;-2.84,-3.36,;-2.07,-2.02,;-2.84,-.69,;-2.07,.64,;-.53,.64,;.24,-.69,;1.78,-.69,;2.55,.64,;1.78,1.98,;.24,1.98,;4.09,.64,;4.86,1.98,;6.4,1.98,;7.17,.64,;7.17,3.31,;8.71,3.31,;9.48,4.65,;9.48,1.98,;-4.38,-.69,;-5.15,-2.02,;-6.65,-2.34,)| Show InChI InChI=1S/C19H27N3O4S/c1-4-24-19-21-16-9-10-17(22-18(16)27-19)26-15-7-5-14(6-8-15)25-11-12(2)20-13(3)23/h9-10,12,14-15H,4-8,11H2,1-3H3,(H,20,23)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50058760 (CHEMBL3335421) Show SMILES O=C(Nc1ccc(cc1)C#CC1CCCCC1)c1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 Show InChI InChI=1S/C32H36N4O/c37-32(34-31-16-12-27(13-17-31)9-8-26-5-2-1-3-6-26)30-14-10-28(11-15-30)24-35-19-21-36(22-20-35)25-29-7-4-18-33-23-29/h4,7,10-18,23,26H,1-3,5-6,19-22,24-25H2,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay				Bioorg Med Chem 22: 5513-29 (2014) Article DOI: 10.1016/j.bmc.2014.07.020 BindingDB Entry DOI: 10.7270/Q24J0GSG
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50089839 (1-[4-(3-Chloro-4-methoxy-benzylamino)-6-cyano-phth...) Show SMILES COc1ccc(CNc2nnc(N3CCC(CC3)C(O)=O)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C23H22ClN5O3/c1-32-20-5-3-15(11-19(20)24)13-26-21-18-10-14(12-25)2-4-17(18)22(28-27-21)29-8-6-16(7-9-29)23(30)31/h2-5,10-11,16H,6-9,13H2,1H3,(H,26,27)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50058766 (CHEMBL3335415) Show SMILES C[C@H]1CN(Cc2cccnc2)CCN1Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H27F3N4O/c1-19-16-32(17-21-3-2-12-30-15-21)13-14-33(19)18-20-4-6-22(7-5-20)25(34)31-24-10-8-23(9-11-24)26(27,28)29/h2-12,15,19H,13-14,16-18H2,1H3,(H,31,34)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay				Bioorg Med Chem 22: 5513-29 (2014) Article DOI: 10.1016/j.bmc.2014.07.020 BindingDB Entry DOI: 10.7270/Q24J0GSG
					More data for this Ligand-Target Pair

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