Compile Data Set for Download or QSAR

Found 998 hits Enz. Inhib. hit(s) with all data for entry = 2685   

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
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236017 (US9365562, 55) Show SMILES Cc1nc(-c2ccc(C)nc2)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C25H25N9/c1-15-9-10-18(12-26-15)25-29-17(3)31-34(25)23-11-22(27-16(2)28-23)33-13-19(14-33)24-30-20-7-5-6-8-21(20)32(24)4/h5-12,19H,13-14H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	-45.7	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236068 (US9365562, 106) Show SMILES Cc1nc(cc(n1)-c1cccnn1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C20H19N7/c1-13-22-17(15-7-5-9-21-25-15)10-19(23-13)27-11-14(12-27)20-24-16-6-3-4-8-18(16)26(20)2/h3-10,14H,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	-45.4	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235173 (US9359348, 7) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1cn2ccc(F)cc2n1 |r| Show InChI InChI=1S/C19H18FN7/c1-10-22-16(8-19(23-10)27-12(3)21-11(2)25-27)14-7-15(14)17-9-26-5-4-13(20)6-18(26)24-17/h4-6,8-9,14-15H,7H2,1-3H3/t14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	-45.0	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...				US Patent US9359348 (2016) BindingDB Entry DOI: 10.7270/Q22F7MB9
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236080 (US9365562, 118) Show SMILES CCCn1c(nc2ccccc12)C1CN(C1)c1cc(nc(C)n1)-n1nc(C)nc1C Show InChI InChI=1S/C22H26N8/c1-5-10-29-19-9-7-6-8-18(19)26-22(29)17-12-28(13-17)20-11-21(25-14(2)24-20)30-16(4)23-15(3)27-30/h6-9,11,17H,5,10,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	-45.0	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236077 (US9365562, 115) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1CC#N Show InChI InChI=1S/C21H21N9/c1-13-24-19(10-20(25-13)30-15(3)23-14(2)27-30)28-11-16(12-28)21-26-17-6-4-5-7-18(17)29(21)9-8-22/h4-7,10,16H,9,11-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	-44.8	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236052 (US9365562, 90) Show SMILES Cc1nc(cc(n1)-c1ccccc1F)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H20FN5/c1-14-24-19(16-7-3-4-8-17(16)23)11-21(25-14)28-12-15(13-28)22-26-18-9-5-6-10-20(18)27(22)2/h3-11,15H,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	-44.7	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236016 (US9365562, 54) Show SMILES Cc1nc(-c2ccc(cc2)C#N)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C26H23N9/c1-16-28-23(34-14-20(15-34)25-31-21-6-4-5-7-22(21)33(25)3)12-24(29-16)35-26(30-17(2)32-35)19-10-8-18(13-27)9-11-19/h4-12,20H,14-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	-44.5	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236084 (US9365562, 122) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2c(F)cccc2n1C Show InChI InChI=1S/C20H21FN8/c1-11-23-17(8-18(24-11)29-13(3)22-12(2)26-29)28-9-14(10-28)20-25-19-15(21)6-5-7-16(19)27(20)4/h5-8,14H,9-10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	-44.3	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236072 (US9365562, 110) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2cccc(C)c2[nH]1 Show InChI InChI=1S/C20H22N8/c1-11-6-5-7-16-19(11)25-20(24-16)15-9-27(10-15)17-8-18(23-12(2)22-17)28-14(4)21-13(3)26-28/h5-8,15H,9-10H2,1-4H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	-44.3	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236055 (US9365562, 93) Show SMILES Cc1nc(cc(n1)-c1ccccc1C(O)=O)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H21N5O2/c1-14-24-19(16-7-3-4-8-17(16)23(29)30)11-21(25-14)28-12-15(13-28)22-26-18-9-5-6-10-20(18)27(22)2/h3-11,15H,12-13H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19	-44.1	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236070 (US9365562, 108) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2cccc(F)c2[nH]1 Show InChI InChI=1S/C19H19FN8/c1-10-22-16(7-17(23-10)28-12(3)21-11(2)26-28)27-8-13(9-27)19-24-15-6-4-5-14(20)18(15)25-19/h4-7,13H,8-9H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19	-44.1	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236066 (US9365562, 104) Show SMILES Cc1nc(cc(n1)-c1ncco1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C19H18N6O/c1-12-21-15(19-20-7-8-26-19)9-17(22-12)25-10-13(11-25)18-23-14-5-3-4-6-16(14)24(18)2/h3-9,13H,10-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	-43.9	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236086 (US9365562, 124) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2c(C)cccc2n1C Show InChI InChI=1S/C21H24N8/c1-12-7-6-8-17-20(12)25-21(27(17)5)16-10-28(11-16)18-9-19(24-13(2)23-18)29-15(4)22-14(3)26-29/h6-9,16H,10-11H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	-43.7	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236053 (US9365562, 91) Show SMILES Cc1nc(cc(n1)-c1ccccc1OC(F)F)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H21F2N5O/c1-14-26-18(16-7-3-6-10-20(16)31-23(24)25)11-21(27-14)30-12-15(13-30)22-28-17-8-4-5-9-19(17)29(22)2/h3-11,15,23H,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	-43.7	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235169 (US9359348, 3) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1cn2cc(C)ccc2n1 |r| Show InChI InChI=1S/C20H21N7/c1-11-5-6-19-24-18(10-26(19)9-11)16-7-15(16)17-8-20(23-12(2)22-17)27-14(4)21-13(3)25-27/h5-6,8-10,15-16H,7H2,1-4H3/t15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	24	-43.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...				US Patent US9359348 (2016) BindingDB Entry DOI: 10.7270/Q22F7MB9
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236015 (US9365562, 53) Show SMILES Cc1nc(-c2cnc(C)cn2)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C24H24N10/c1-14-10-26-19(11-25-14)24-29-16(3)31-34(24)22-9-21(27-15(2)28-22)33-12-17(13-33)23-30-18-7-5-6-8-20(18)32(23)4/h5-11,17H,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26	-43.3	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236046 (US9365562, 84) Show SMILES COc1nc(C)ccc1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H24N6O/c1-14-9-10-17(23(24-14)30-4)19-11-21(26-15(2)25-19)29-12-16(13-29)22-27-18-7-5-6-8-20(18)28(22)3/h5-11,16H,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	-43.2	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236044 (US9365562, 82) Show SMILES COc1ncccc1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H22N6O/c1-14-24-18(16-7-6-10-23-22(16)29-3)11-20(25-14)28-12-15(13-28)21-26-17-8-4-5-9-19(17)27(21)2/h4-11,15H,12-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	-43.2	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236054 (US9365562, 92) Show SMILES Cc1nc(cc(n1)-c1ccccc1O)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H21N5O/c1-14-23-18(16-7-3-6-10-20(16)28)11-21(24-14)27-12-15(13-27)22-25-17-8-4-5-9-19(17)26(22)2/h3-11,15,28H,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	-42.9	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236063 (US9365562, 101) Show SMILES CC(=O)c1ccnc(c1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H22N6O/c1-14(30)16-8-9-24-19(10-16)20-11-22(26-15(2)25-20)29-12-17(13-29)23-27-18-6-4-5-7-21(18)28(23)3/h4-11,17H,12-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	31	-42.9	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236087 (US9365562, 125) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2c(cccc2n1C)C(F)(F)F Show InChI InChI=1S/C21H21F3N8/c1-11-26-17(8-18(27-11)32-13(3)25-12(2)29-32)31-9-14(10-31)20-28-19-15(21(22,23)24)6-5-7-16(19)30(20)4/h5-8,14H,9-10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37	-42.4	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235982 (US9365562, 20) Show SMILES COc1nc(cc(n1)-n1cc(cn1)C(C)O)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H23N7O2/c1-13(29)14-9-22-28(12-14)19-8-18(24-21(25-19)30-3)27-10-15(11-27)20-23-16-6-4-5-7-17(16)26(20)2/h4-9,12-13,15,29H,10-11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37	-42.4	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236073 (US9365562, 111) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccc(C)cc2[nH]1 Show InChI InChI=1S/C20H22N8/c1-11-5-6-16-17(7-11)25-20(24-16)15-9-27(10-15)18-8-19(23-12(2)22-18)28-14(4)21-13(3)26-28/h5-8,15H,9-10H2,1-4H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	39	-42.3	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236062 (US9365562, 100) Show SMILES COc1cccnc1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H22N6O/c1-14-24-17(21-19(29-3)9-6-10-23-21)11-20(25-14)28-12-15(13-28)22-26-16-7-4-5-8-18(16)27(22)2/h4-11,15H,12-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	41	-42.2	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235170 (US9359348, 4) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1cn2ccc(C)cc2n1 |r| Show InChI InChI=1S/C20H21N7/c1-11-5-6-26-10-18(24-19(26)7-11)16-8-15(16)17-9-20(23-12(2)22-17)27-14(4)21-13(3)25-27/h5-7,9-10,15-16H,8H2,1-4H3/t15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44	-42.0	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...				US Patent US9359348 (2016) BindingDB Entry DOI: 10.7270/Q22F7MB9
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236048 (US9365562, 86) Show SMILES Cc1nc(cc(n1)-c1ccncc1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H20N6/c1-14-23-18(15-7-9-22-10-8-15)11-20(24-14)27-12-16(13-27)21-25-17-5-3-4-6-19(17)26(21)2/h3-11,16H,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46	-41.9	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236050 (US9365562, 88) Show SMILES Cc1nc(cc(n1)-c1ccccc1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H21N5/c1-15-23-19(16-8-4-3-5-9-16)12-21(24-15)27-13-17(14-27)22-25-18-10-6-7-11-20(18)26(22)2/h3-12,17H,13-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	63	-41.1	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236051 (US9365562, 89) Show SMILES COc1ccccc1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H23N5O/c1-15-24-19(17-8-4-7-11-21(17)29-3)12-22(25-15)28-13-16(14-28)23-26-18-9-5-6-10-20(18)27(23)2/h4-12,16H,13-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	63	-41.1	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235177 (US9359348, 11) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1nc2ccccn2c1C#N |r| Show InChI InChI=1S/C20H18N8/c1-11-23-16(9-19(24-11)28-13(3)22-12(2)26-28)14-8-15(14)20-17(10-21)27-7-5-4-6-18(27)25-20/h4-7,9,14-15H,8H2,1-3H3/t14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>75	>-40.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...				US Patent US9359348 (2016) BindingDB Entry DOI: 10.7270/Q22F7MB9
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235172 (US9359348, 6) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1cn2cccc(F)c2n1 |r| Show InChI InChI=1S/C19H18FN7/c1-10-22-16(8-18(23-10)27-12(3)21-11(2)25-27)13-7-14(13)17-9-26-6-4-5-15(20)19(26)24-17/h4-6,8-9,13-14H,7H2,1-3H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>75	>-40.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...				US Patent US9359348 (2016) BindingDB Entry DOI: 10.7270/Q22F7MB9
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235171 (US9359348, 5) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1cn2cccc(C)c2n1 |r| Show InChI InChI=1S/C20H21N7/c1-11-6-5-7-26-10-18(24-20(11)26)16-8-15(16)17-9-19(23-12(2)22-17)27-14(4)21-13(3)25-27/h5-7,9-10,15-16H,8H2,1-4H3/t15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>75	>-40.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...				US Patent US9359348 (2016) BindingDB Entry DOI: 10.7270/Q22F7MB9
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236075 (US9365562, 113) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccc(cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C20H19F3N8/c1-10-25-17(7-18(26-10)31-12(3)24-11(2)29-31)30-8-13(9-30)19-27-15-5-4-14(20(21,22)23)6-16(15)28-19/h4-7,13H,8-9H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>75	>-40.7	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236074 (US9365562, 112) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2cccc(c2[nH]1)C(F)(F)F Show InChI InChI=1S/C20H19F3N8/c1-10-25-16(7-17(26-10)31-12(3)24-11(2)29-31)30-8-13(9-30)19-27-15-6-4-5-14(18(15)28-19)20(21,22)23/h4-7,13H,8-9H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>75	>-40.7	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236045 (US9365562, 83) Show SMILES CC(=O)Nc1ncccc1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H23N7O/c1-14-25-19(17-7-6-10-24-22(17)27-15(2)31)11-21(26-14)30-12-16(13-30)23-28-18-8-4-5-9-20(18)29(23)3/h4-11,16H,12-13H2,1-3H3,(H,24,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	75	-40.7	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236043 (US9365562, 81) Show SMILES Cc1nc(cc(n1)-c1cccnc1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H20N6/c1-14-23-18(15-6-5-9-22-11-15)10-20(24-14)27-12-16(13-27)21-25-17-7-3-4-8-19(17)26(21)2/h3-11,16H,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	76	-40.6	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236042 (US9365562, 80) Show SMILES Cc1nc(cc(n1)-c1cccnc1C)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H22N6/c1-14-17(7-6-10-23-14)19-11-21(25-15(2)24-19)28-12-16(13-28)22-26-18-8-4-5-9-20(18)27(22)3/h4-11,16H,12-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>100	>-40.0	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236088 (US9365562, 126) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1ccc(C)cn1 Show InChI InChI=1S/C18H21N7/c1-11-5-6-16(19-8-11)15-9-24(10-15)17-7-18(22-12(2)21-17)25-14(4)20-13(3)23-25/h5-8,15H,9-10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	407	-36.5	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101929 (3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...) Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13 Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101925 (16-benzyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazape...) Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1ccccc1)ccc4C#N)cc23 Show InChI InChI=1S/C31H25N5O2/c32-16-24-10-9-22-14-30(24)38-26-12-11-23-7-4-8-28(27(23)15-26)35-31(37)29(13-21-5-2-1-3-6-21)34-18-25-17-33-20-36(25)19-22/h1-12,14-15,17,20,29,34H,13,18-19H2,(H,35,37)/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM16179 (4-{[5-({[(3S)-1-(3-chlorobenzyl)-2-oxopyrrolidin-3...) Show SMILES Clc1cccc(CN2CC[C@H](NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1 |r| Show InChI InChI=1S/C23H22ClN5O/c24-20-3-1-2-19(10-20)15-28-9-8-22(23(28)30)27-13-21-12-26-16-29(21)14-18-6-4-17(11-25)5-7-18/h1-7,10,12,16,22,27H,8-9,13-15H2/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells				J Med Chem 44: 2933-49 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RNW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50258579 ((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C26H33N5O3/c1-17(32)9-5-4-6-12-22(29-25(33)19-15-31(2)16-19)24-27-14-23(28-24)20-13-18-10-7-8-11-21(18)30-26(20)34-3/h7-8,10-11,13-14,19,22H,4-6,9,12,15-16H2,1-3H3,(H,27,28)(H,29,33)/t22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human FLAG-tagged HDAC3 expressed in human HEK293F cells co-expressing His6-tagged SMRT (1 to 899 residues) using Fluor-de-...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00074 BindingDB Entry DOI: 10.7270/Q2V41004
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50569630 (CHEMBL4873847) Show SMILES [H][C@]12CCCCN1C(=O)[C@@H](NC(=O)[C@@H](Cc1cn(OC)c3ccccc13)NC(=O)[C@@H](CCCCCC(=O)CC)NC2=O)[C@@H](C)CC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal FLAG-tagged HDAC1 expressed in human HEK293F cells using Fluor-de-lys substrate as substrate incubated for...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00074 BindingDB Entry DOI: 10.7270/Q2V41004
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM14023 ((1R,2R,5R)-30-oxo-19-oxa-2,6,10,12-tetraazahexacyc...) Show SMILES O=C1[C@H]2CCN1[C@@H]1CCCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r| Show InChI InChI=1S/C26H25N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h4-7,10-11,13,16,23-24,29H,1-3,8-9,14-15H2/t23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...				J Med Chem 45: 2388-409 (2002) Article DOI: 10.1021/jm010531d BindingDB Entry DOI: 10.7270/Q2T72FPK
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM14025 ((1R,2R,5R)-30-oxo-19,24-dioxa-2,6,10,12-tetraazahe...) Show SMILES O=C1[C@H]2CCN1[C@@H]1CCOc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r| Show InChI InChI=1S/C25H23N5O3/c26-11-17-2-1-16-9-24(17)33-19-3-4-23-20(10-19)22(6-8-32-23)30-7-5-21(25(30)31)28-13-18-12-27-15-29(18)14-16/h1-4,9-10,12,15,21-22,28H,5-8,13-14H2/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...				J Med Chem 45: 2388-409 (2002) Article DOI: 10.1021/jm010531d BindingDB Entry DOI: 10.7270/Q2T72FPK
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM14018 ((17R, 20R)-19,20,21,22-Tetrahydro-19-oxo-17H-15,-1...) Show SMILES O=C1[C@H]2CCN1[C@@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r| Show InChI InChI=1S/C25H23N5O2/c26-11-18-2-1-16-9-24(18)32-20-5-3-17-4-6-23(21(17)10-20)30-8-7-22(25(30)31)28-13-19-12-27-15-29(19)14-16/h1-3,5,9-10,12,15,22-23,28H,4,6-8,13-14H2/t22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...				J Med Chem 45: 2388-409 (2002) Article DOI: 10.1021/jm010531d BindingDB Entry DOI: 10.7270/Q2T72FPK
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50103360 ((3-{[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]-[3...) Show SMILES CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2cccc(Cl)c2)C1=O Show InChI InChI=1S/C31H37ClN6O3/c1-31(2,3)41-30(40)35-13-5-14-36(28-12-15-37(29(28)39)20-25-6-4-7-26(32)16-25)21-27-18-34-22-38(27)19-24-10-8-23(17-33)9-11-24/h4,6-11,16,18,22,28H,5,12-15,19-21H2,1-3H3,(H,35,40)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells				J Med Chem 44: 2933-49 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RNW
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM14014 ((5S)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19....) Show SMILES O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CCN2)ccc4C#N)cc13 |r| Show InChI InChI=1S/C27H23N5O2/c28-14-20-5-4-18-12-26(20)34-22-7-6-19-2-1-3-25(23(19)13-22)32-11-9-24(27(32)33)30-10-8-21-15-29-17-31(21)16-18/h1-7,12-13,15,17,24,30H,8-11,16H2/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...				J Med Chem 45: 2388-409 (2002) Article DOI: 10.1021/jm010531d BindingDB Entry DOI: 10.7270/Q2T72FPK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101923 (16-ethyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazapen...) Show SMILES CC[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2 Show InChI InChI=1S/C26H23N5O2/c1-2-23-26(32)30-24-5-3-4-18-8-9-21(11-22(18)24)33-25-10-17(6-7-19(25)12-27)15-31-16-28-13-20(31)14-29-23/h3-11,13,16,23,29H,2,14-15H2,1H3,(H,30,32)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM14017 ((5R)-6-methyl-31-oxo-20-oxa-2,6,11,13-tetraazahexa...) Show SMILES CN1CCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@@H]1C5=O)c4c3)c2 |r| Show InChI InChI=1S/C28H25N5O2/c1-31-11-9-22-16-30-18-32(22)17-19-5-6-21(15-29)27(13-19)35-23-8-7-20-3-2-4-25(24(20)14-23)33-12-10-26(31)28(33)34/h2-8,13-14,16,18,26H,9-12,17H2,1H3/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...				J Med Chem 45: 2388-409 (2002) Article DOI: 10.1021/jm010531d BindingDB Entry DOI: 10.7270/Q2T72FPK
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM14015 ((5R)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19....) Show SMILES O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CCN2)ccc4C#N)cc13 |r| Show InChI InChI=1S/C27H23N5O2/c28-14-20-5-4-18-12-26(20)34-22-7-6-19-2-1-3-25(23(19)13-22)32-11-9-24(27(32)33)30-10-8-21-15-29-17-31(21)16-18/h1-7,12-13,15,17,24,30H,8-11,16H2/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...				J Med Chem 45: 2388-409 (2002) Article DOI: 10.1021/jm010531d BindingDB Entry DOI: 10.7270/Q2T72FPK
					More data for this Ligand-Target Pair				3D Structure (docked)

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