Compile Data Set for Download or QSAR

Found 1268 hits of ic50 for UniProtKB: P17252   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein kinase C alpha type (Homo sapiens (Human))	BDBM3149 (2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.0740	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha				J Med Chem 44: 1530-9 (2001) Article DOI: 10.1021/jm000443d BindingDB Entry DOI: 10.7270/Q28D0007
					More data for this Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition Protein kinase C (PKC)				J Med Chem 45: 3772-93 (2002) BindingDB Entry DOI: 10.7270/Q2WW7JD9
					More data for this Ligand-Target Pair				3D Structure (crystal)
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139 (Homo sapiens (Human))	BDBM50519062 (CHEMBL4442196) Show SMILES [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](OC(C)=O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:41:57.58:38,THB:62:43:57.58:38,45:43:57.58:38,56:57:43.41.44:38,32:37:45.57.56:41| Show InChI InChI=1S/C46H56O13/c1-25(2)42-22-31(23-53-39(49)29-17-11-8-12-18-29)45-34-37(42)57-46(58-42,59-45)32(54-28(5)48)21-15-7-6-10-16-26(3)33-27(4)36(55-40(50)30-19-13-9-14-20-30)44(52,35(33)45)41(51)43(24-47)38(34)56-43/h8-9,11-14,17-20,26-27,31-38,41,47,51-52H,1,6-7,10,15-16,21-24H2,2-5H3/t26-,27+,31+,32-,33+,34-,35-,36+,37-,38+,41-,42-,43+,44-,45-,46?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Agonist activity at Protein kinase C in human MT4 cells infected with HIV-1 NL4-3 assessed as inhibition of viral replication measured on day 3 post-...				J Med Chem 62: 6958-6971 (2019) Article DOI: 10.1021/acs.jmedchem.9b00339 BindingDB Entry DOI: 10.7270/Q2959MZJ
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251544 (US9452998, 93) Show SMILES Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1)-c1nc(ccc1C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C26H30F3N9O3/c27-26(28,29)16-3-4-19(38-10-12-41-13-11-38)35-20(16)17-14-33-22(30)21(34-17)24(40)36-23-18(2-1-7-32-23)37-8-5-25(31,15-39)6-9-37/h1-4,7,14,39H,5-6,8-13,15,31H2,(H2,30,33)(H,32,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251523 (US9452998, 72 | US9452998, 78) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(cc2ccccc12)N1CCOCC1 Show InChI InChI=1S/C28H31N9O2/c29-19-7-10-36(11-8-19)22-6-3-9-31-27(22)35-28(38)25-26(30)32-17-21(33-25)24-20-5-2-1-4-18(20)16-23(34-24)37-12-14-39-15-13-37/h1-6,9,16-17,19H,7-8,10-15,29H2,(H2,30,32)(H,31,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251574 (US9452998, Table 4 Compound 4) Show SMILES NC1CCN(CC1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1 Show InChI InChI=1S/C21H23N7O/c22-15-7-10-28(11-8-15)18-6-9-24-12-17(18)27-21(29)19-20(23)25-13-16(26-19)14-4-2-1-3-5-14/h1-6,9,12-13,15H,7-8,10-11,22H2,(H2,23,25)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139 (Homo sapiens (Human))	BDBM50519087 (CHEMBL3741746) Show SMILES [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:38:35:54.55,THB:55:34:38:54.53.42,32:34:38:54.53.42,53:54:40.38.41:35,42:40:35:54.55,56:54:40.38.41:35| Show InChI InChI=1S/C44H54O12/c1-24(2)40-21-29(22-51-37(47)27-16-10-7-11-17-27)43-32-35(40)54-44(55-40,56-43)30(46)20-14-6-5-9-15-25(3)31-26(4)34(52-38(48)28-18-12-8-13-19-28)42(50,33(31)43)39(49)41(23-45)36(32)53-41/h7-8,10-13,16-19,25-26,29-36,39,45-46,49-50H,1,5-6,9,14-15,20-23H2,2-4H3/t25-,26+,29+,30-,31+,32-,33-,34+,35-,36+,39-,40-,41+,42-,43-,44?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Agonist activity at Protein kinase C in human MT4 cells infected with HIV-1 NL4-3 assessed as inhibition of viral replication measured on day 3 post-...				J Med Chem 62: 6958-6971 (2019) Article DOI: 10.1021/acs.jmedchem.9b00339 BindingDB Entry DOI: 10.7270/Q2959MZJ
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251455 (US9452998, 4) Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(cc2ccccc12)N1CCOCC1 Show InChI InChI=1S/C29H33N9O2/c1-29(31)8-11-37(12-9-29)22-7-4-10-32-27(22)36-28(39)25-26(30)33-18-21(34-25)24-20-6-3-2-5-19(20)17-23(35-24)38-13-15-40-16-14-38/h2-7,10,17-18H,8-9,11-16,31H2,1H3,(H2,30,33)(H,32,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251458 (US9452998, 7) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C24H27F3N10O2/c25-24(26,27)15-12-32-23(37-8-10-39-11-9-37)34-18(15)16-13-31-20(29)19(33-16)22(38)35-21-17(2-1-5-30-21)36-6-3-14(28)4-7-36/h1-2,5,12-14H,3-4,6-11,28H2,(H2,29,31)(H,30,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251491 (US9452998, 40 | US9452998, 51) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc(c1)N1CCOCC1 Show InChI InChI=1S/C25H30N8O2/c26-18-6-9-33(10-7-18)21-5-2-8-28-24(21)31-25(34)22-23(27)29-16-20(30-22)17-3-1-4-19(15-17)32-11-13-35-14-12-32/h1-5,8,15-16,18H,6-7,9-14,26H2,(H2,27,29)(H,28,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251496 (US9452998, 45) Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1C(F)(F)F)C1=CCOCC1 |t:38| Show InChI InChI=1S/C26H28F3N9O2/c1-25(31)6-9-38(10-7-25)18-3-2-8-32-23(18)37-24(39)20-21(30)33-14-17(35-20)19-16(26(27,28)29)13-34-22(36-19)15-4-11-40-12-5-15/h2-4,8,13-14H,5-7,9-12,31H2,1H3,(H2,30,33)(H,32,37,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251497 (US9452998, 46) Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(nc2ccccc12)N1CCOCC1 Show InChI InChI=1S/C28H32N10O2/c1-28(30)8-11-37(12-9-28)21-7-4-10-31-25(21)36-26(39)23-24(29)32-17-20(33-23)22-18-5-2-3-6-19(18)34-27(35-22)38-13-15-40-16-14-38/h2-7,10,17H,8-9,11-16,30H2,1H3,(H2,29,32)(H,31,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251506 (US9452998, 55) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc2[nH]c(cc12)C(F)(F)F Show InChI InChI=1S/C24H23F3N8O/c25-24(26,27)19-11-15-14(3-1-4-16(15)32-19)17-12-31-21(29)20(33-17)23(36)34-22-18(5-2-8-30-22)35-9-6-13(28)7-10-35/h1-5,8,11-13,32H,6-7,9-10,28H2,(H2,29,31)(H,30,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251507 (US9452998, 56 | US9452998, 76) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cc(ccc1C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C26H29F3N8O2/c27-26(28,29)19-4-3-17(36-10-12-39-13-11-36)14-18(19)20-15-33-23(31)22(34-20)25(38)35-24-21(2-1-7-32-24)37-8-5-16(30)6-9-37/h1-4,7,14-16H,5-6,8-13,30H2,(H2,31,33)(H,32,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251508 (US9452998, 57) Show SMILES CN(C)c1ccc(c(n1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(N)CC1)C(F)(F)F Show InChI InChI=1S/C23H26F3N9O/c1-34(2)17-6-5-14(23(24,25)26)18(32-17)15-12-30-20(28)19(31-15)22(36)33-21-16(4-3-9-29-21)35-10-7-13(27)8-11-35/h3-6,9,12-13H,7-8,10-11,27H2,1-2H3,(H2,28,30)(H,29,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251509 (US9452998, 58) Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1F)N1CCC(F)(F)CC1 Show InChI InChI=1S/C25H29F3N10O/c1-24(30)4-9-37(10-5-24)17-3-2-8-31-21(17)36-22(39)19-20(29)32-14-16(34-19)18-15(26)13-33-23(35-18)38-11-6-25(27,28)7-12-38/h2-3,8,13-14H,4-7,9-12,30H2,1H3,(H2,29,32)(H,31,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251512 (US9452998, 61) Show SMILES Cn1ccc2c(cccc12)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(N)CC1 Show InChI InChI=1S/C24H26N8O/c1-31-11-9-17-16(4-2-5-19(17)31)18-14-28-22(26)21(29-18)24(33)30-23-20(6-3-10-27-23)32-12-7-15(25)8-13-32/h2-6,9-11,14-15H,7-8,12-13,25H2,1H3,(H2,26,28)(H,27,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251513 (US9452998, 62) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C22H23N9O/c23-13-6-9-31(10-7-13)18-5-2-8-25-21(18)29-22(32)19-20(24)26-12-17(28-19)14-3-1-4-16-15(14)11-27-30-16/h1-5,8,11-13H,6-7,9-10,23H2,(H2,24,26)(H,27,30)(H,25,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251515 (US9452998, 64) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(nc2ccc(F)cc12)N1CCOCC1 Show InChI InChI=1S/C27H29FN10O2/c28-16-3-4-19-18(14-16)22(35-27(34-19)38-10-12-40-13-11-38)20-15-32-24(30)23(33-20)26(39)36-25-21(2-1-7-31-25)37-8-5-17(29)6-9-37/h1-4,7,14-15,17H,5-6,8-13,29H2,(H2,30,32)(H,31,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251516 (US9452998, 65) Show SMILES Cc1cc2c(cccc2[nH]1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(N)CC1 Show InChI InChI=1S/C24H26N8O/c1-14-12-17-16(4-2-5-18(17)29-14)19-13-28-22(26)21(30-19)24(33)31-23-20(6-3-9-27-23)32-10-7-15(25)8-11-32/h2-6,9,12-13,15,29H,7-8,10-11,25H2,1H3,(H2,26,28)(H,27,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251517 (US9452998, 66 | US9452998, 77) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C25H28F3N9O2/c26-25(27,28)16-3-4-19(37-10-12-39-13-11-37)34-20(16)17-14-32-22(30)21(33-17)24(38)35-23-18(2-1-7-31-23)36-8-5-15(29)6-9-36/h1-4,7,14-15H,5-6,8-13,29H2,(H2,30,32)(H,31,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251522 (US9452998, 71) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C23H24N8O/c24-14-7-11-31(12-8-14)19-5-2-9-27-22(19)30-23(32)20-21(25)28-13-18(29-20)15-3-1-4-17-16(15)6-10-26-17/h1-6,9-10,13-14,26H,7-8,11-12,24H2,(H2,25,28)(H,27,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251523 (US9452998, 72 | US9452998, 78) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(cc2ccccc12)N1CCOCC1 Show InChI InChI=1S/C28H31N9O2/c29-19-7-10-36(11-8-19)22-6-3-9-31-27(22)35-28(38)25-26(30)32-17-21(33-25)24-20-5-2-1-4-18(20)16-23(34-24)37-12-14-39-15-13-37/h1-6,9,16-17,19H,7-8,10-15,29H2,(H2,30,32)(H,31,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251524 (US9452998, 73) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cc(cc(c1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C26H29F3N8O2/c27-26(28,29)17-12-16(13-19(14-17)36-8-10-39-11-9-36)20-15-33-23(31)22(34-20)25(38)35-24-21(2-1-5-32-24)37-6-3-18(30)4-7-37/h1-2,5,12-15,18H,3-4,6-11,30H2,(H2,31,33)(H,32,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251507 (US9452998, 56 | US9452998, 76) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cc(ccc1C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C26H29F3N8O2/c27-26(28,29)19-4-3-17(36-10-12-39-13-11-36)14-18(19)20-15-33-23(31)22(34-20)25(38)35-24-21(2-1-7-32-24)37-8-5-16(30)6-9-37/h1-4,7,14-16H,5-6,8-13,30H2,(H2,31,33)(H,32,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251517 (US9452998, 66 | US9452998, 77) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C25H28F3N9O2/c26-25(27,28)16-3-4-19(37-10-12-39-13-11-37)34-20(16)17-14-32-22(30)21(33-17)24(38)35-23-18(2-1-7-31-23)36-8-5-15(29)6-9-36/h1-4,7,14-15H,5-6,8-13,29H2,(H2,30,32)(H,31,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251572 (US9452998, Table 4 Compound 2) Show SMILES NC1CCN(CC1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1F Show InChI InChI=1S/C21H22FN7O/c22-15-4-2-1-3-14(15)16-12-26-20(24)19(27-16)21(30)28-17-11-25-8-5-18(17)29-9-6-13(23)7-10-29/h1-5,8,11-13H,6-7,9-10,23H2,(H2,24,26)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251511 (US9452998, 60) Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1F)N1CCOCC1 Show InChI InChI=1S/C24H29FN10O2/c1-24(27)4-7-34(8-5-24)17-3-2-6-28-21(17)33-22(36)19-20(26)29-14-16(31-19)18-15(25)13-30-23(32-18)35-9-11-37-12-10-35/h2-3,6,13-14H,4-5,7-12,27H2,1H3,(H2,26,29)(H,28,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139 (Homo sapiens (Human))	BDBM50519068 (CHEMBL4575056) Show SMILES [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCCC(=O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:38:54.55:35,THB:59:40:54.55:35,42:40:54.55:35,53:54:40.38.41:35,32:34:42.54.53:38| Show InChI InChI=1S/C44H52O12/c1-24(2)40-21-29(22-51-37(47)27-16-10-7-11-17-27)43-32-35(40)54-44(55-40,56-43)30(46)20-14-6-5-9-15-25(3)31-26(4)34(52-38(48)28-18-12-8-13-19-28)42(50,33(31)43)39(49)41(23-45)36(32)53-41/h7-8,10-13,16-19,25-26,29,31-36,39,45,49-50H,1,5-6,9,14-15,20-23H2,2-4H3/t25-,26+,29+,31+,32-,33-,34+,35-,36+,39-,40-,41+,42-,43-,44?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Agonist activity at Protein kinase C in human MT4 cells infected with HIV-1 NL4-3 assessed as inhibition of viral replication measured on day 3 post-...				J Med Chem 62: 6958-6971 (2019) Article DOI: 10.1021/acs.jmedchem.9b00339 BindingDB Entry DOI: 10.7270/Q2959MZJ
					More data for this Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139 (Homo sapiens (Human))	BDBM50519060 (CHEMBL4528495) Show SMILES [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccc4ccccc4c3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:42:58.59:39,THB:63:44:58.59:39,36:38:46.58.57:42,46:44:58.59:39,57:58:44.42.45:39| Show InChI InChI=1S/C48H56O12/c1-26(2)44-23-33(24-55-41(51)30-16-9-7-10-17-30)47-36-39(44)58-48(59-44,60-47)34(50)19-11-6-5-8-14-27(3)35-28(4)38(46(54,37(35)47)43(53)45(25-49)40(36)57-45)56-42(52)32-21-20-29-15-12-13-18-31(29)22-32/h7,9-10,12-13,15-18,20-22,27-28,33-40,43,49-50,53-54H,1,5-6,8,11,14,19,23-25H2,2-4H3/t27-,28+,33+,34-,35+,36-,37-,38+,39-,40+,43-,44-,45+,46-,47-,48?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Agonist activity at Protein kinase C in human MT4 cells infected with HIV-1 NL4-3 assessed as inhibition of viral replication measured on day 3 post-...				J Med Chem 62: 6958-6971 (2019) Article DOI: 10.1021/acs.jmedchem.9b00339 BindingDB Entry DOI: 10.7270/Q2959MZJ
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251573 (US9452998, Table 4 Compound 3) Show SMILES NC1CCN(CC1)c1ccccc1NC(=O)c1nc(cnc1N)-c1ccccc1 Show InChI InChI=1S/C22H24N6O/c23-16-10-12-28(13-11-16)19-9-5-4-8-17(19)27-22(29)20-21(24)25-14-18(26-20)15-6-2-1-3-7-15/h1-9,14,16H,10-13,23H2,(H2,24,25)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251540 (US9452998, 89) Show SMILES CCOCC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F Show InChI InChI=1S/C24H27F3N8O3/c1-2-37-14-23(29)7-11-35(12-8-23)16-5-3-10-31-21(16)34-22(36)19-20(28)32-13-15(33-19)18-17(6-4-9-30-18)38-24(25,26)27/h3-6,9-10,13H,2,7-8,11-12,14,29H2,1H3,(H2,28,32)(H,31,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251493 (US9452998, 42) Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cc(ccc1C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C27H31F3N8O2/c1-26(32)6-9-38(10-7-26)21-3-2-8-33-24(21)36-25(39)22-23(31)34-16-20(35-22)18-15-17(37-11-13-40-14-12-37)4-5-19(18)27(28,29)30/h2-5,8,15-16H,6-7,9-14,32H2,1H3,(H2,31,34)(H,33,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139 (Homo sapiens (Human))	BDBM50519083 (CHEMBL4538431) Show SMILES [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccc(OC)cc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:40:56.57:37,THB:61:42:56.57:37,44:42:56.57:37,55:56:42.40.43:37,34:36:44.56.55:40| Show InChI InChI=1S/C45H56O13/c1-24(2)41-21-29(22-53-38(48)27-14-10-8-11-15-27)44-33-36(41)56-45(57-41,58-44)31(47)16-12-7-6-9-13-25(3)32-26(4)35(54-39(49)28-17-19-30(52-5)20-18-28)43(51,34(32)44)40(50)42(23-46)37(33)55-42/h8,10-11,14-15,17-20,25-26,29,31-37,40,46-47,50-51H,1,6-7,9,12-13,16,21-23H2,2-5H3/t25-,26+,29+,31-,32+,33-,34-,35+,36-,37+,40-,41-,42+,43-,44-,45?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Agonist activity at Protein kinase C in human MT4 cells infected with HIV-1 NL4-3 assessed as inhibition of viral replication measured on day 3 post-...				J Med Chem 62: 6958-6971 (2019) Article DOI: 10.1021/acs.jmedchem.9b00339 BindingDB Entry DOI: 10.7270/Q2959MZJ
					More data for this Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139 (Homo sapiens (Human))	BDBM50519084 (CHEMBL4443190) Show SMILES [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)C)[C@@]13[H] |r,TLB:1:38:54.55:35,THB:59:40:54.55:35,42:40:54.55:35,53:54:40.38.41:35,32:34:42.54.53:38| Show InChI InChI=1S/C44H56O12/c1-24(2)40-21-29(22-51-37(47)27-16-10-7-11-17-27)43-32-35(40)54-44(55-40,56-43)30(46)20-14-6-5-9-15-25(3)31-26(4)34(52-38(48)28-18-12-8-13-19-28)42(50,33(31)43)39(49)41(23-45)36(32)53-41/h7-8,10-13,16-19,24-26,29-36,39,45-46,49-50H,5-6,9,14-15,20-23H2,1-4H3/t25-,26+,29+,30-,31+,32-,33-,34+,35-,36+,39-,40-,41+,42-,43-,44?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Agonist activity at Protein kinase C in human MT4 cells infected with HIV-1 NL4-3 assessed as inhibition of viral replication measured on day 3 post-...				J Med Chem 62: 6958-6971 (2019) Article DOI: 10.1021/acs.jmedchem.9b00339 BindingDB Entry DOI: 10.7270/Q2959MZJ
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251501 (US9452998, 50) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc(n1)N1CCOCC1 Show InChI InChI=1S/C24H29N9O2/c25-16-6-9-32(10-7-16)19-4-2-8-27-23(19)31-24(34)21-22(26)28-15-18(30-21)17-3-1-5-20(29-17)33-11-13-35-14-12-33/h1-5,8,15-16H,6-7,9-14,25H2,(H2,26,28)(H,27,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251575 (US9452998, Table 4 Compound 5) Show SMILES COc1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC(N)CC1 Show InChI InChI=1S/C22H25N7O2/c1-31-16-4-2-14(3-5-16)17-13-26-21(24)20(27-17)22(30)28-18-12-25-9-6-19(18)29-10-7-15(23)8-11-29/h2-6,9,12-13,15H,7-8,10-11,23H2,1H3,(H2,24,26)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251504 (US9452998, 53) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCC1 Show InChI InChI=1S/C24H26F3N9O/c25-24(26,27)15-4-5-18(36-9-2-10-36)33-19(15)16-13-31-21(29)20(32-16)23(37)34-22-17(3-1-8-30-22)35-11-6-14(28)7-12-35/h1,3-5,8,13-14H,2,6-7,9-12,28H2,(H2,29,31)(H,30,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251491 (US9452998, 40 | US9452998, 51) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cccc(c1)N1CCOCC1 Show InChI InChI=1S/C25H30N8O2/c26-18-6-9-33(10-7-18)21-5-2-8-28-24(21)31-25(34)22-23(27)29-16-20(30-22)17-3-1-4-19(15-17)32-11-13-35-14-12-32/h1-5,8,15-16,18H,6-7,9-14,26H2,(H2,27,29)(H,28,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251457 (US9452998, 6) Show SMILES Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1)-c1ncccc1OC(F)(F)F Show InChI InChI=1S/C22H23F3N8O3/c23-22(24,25)36-15-4-2-7-28-16(15)13-11-30-18(26)17(31-13)20(35)32-19-14(3-1-8-29-19)33-9-5-21(27,12-34)6-10-33/h1-4,7-8,11,34H,5-6,9-10,12,27H2,(H2,26,30)(H,29,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139 (Homo sapiens (Human))	BDBM50519069 (CHEMBL4435580) Show SMILES [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccc(cc3)[N+]([O-])=O)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:41:57.58:38,THB:62:43:57.58:38,45:43:57.58:38,56:57:43.41.44:38,35:37:45.57.56:41| Show InChI InChI=1S/C44H53NO14/c1-23(2)40-20-28(21-54-37(48)26-13-9-7-10-14-26)43-32-35(40)57-44(58-40,59-43)30(47)15-11-6-5-8-12-24(3)31-25(4)34(55-38(49)27-16-18-29(19-17-27)45(52)53)42(51,33(31)43)39(50)41(22-46)36(32)56-41/h7,9-10,13-14,16-19,24-25,28,30-36,39,46-47,50-51H,1,5-6,8,11-12,15,20-22H2,2-4H3/t24-,25+,28+,30-,31+,32-,33-,34+,35-,36+,39-,40-,41+,42-,43-,44?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Agonist activity at Protein kinase C in human MT4 cells infected with HIV-1 NL4-3 assessed as inhibition of viral replication measured on day 3 post-...				J Med Chem 62: 6958-6971 (2019) Article DOI: 10.1021/acs.jmedchem.9b00339 BindingDB Entry DOI: 10.7270/Q2959MZJ
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251480 (US9452998, 29) Show SMILES N[C@H]1[C@H]2CO[C@@H]1CN(C2)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C26H28F3N9O3/c27-26(28,29)15-3-4-19(37-6-8-40-9-7-37)35-21(15)16-10-33-23(31)22(34-16)25(39)36-24-17(2-1-5-32-24)38-11-14-13-41-18(12-38)20(14)30/h1-5,10,14,18,20H,6-9,11-13,30H2,(H2,31,33)(H,32,36,39)/t14-,18-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251543 (US9452998, 92) Show SMILES Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1)-c1cc2ccccc2c(n1)N1CCOCC1 Show InChI InChI=1S/C29H33N9O3/c30-25-24(28(40)36-26-23(6-3-9-32-26)37-10-7-29(31,18-39)8-11-37)34-22(17-33-25)21-16-19-4-1-2-5-20(19)27(35-21)38-12-14-41-15-13-38/h1-6,9,16-17,39H,7-8,10-15,18,31H2,(H2,30,33)(H,32,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251505 (US9452998, 54) Show SMILES N[C@@H]1CCN(C[C@@H]1F)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F |r| Show InChI InChI=1S/C21H20F4N8O2/c22-11-10-33(8-5-12(11)26)14-3-1-7-29-19(14)32-20(34)17-18(27)30-9-13(31-17)16-15(4-2-6-28-16)35-21(23,24)25/h1-4,6-7,9,11-12H,5,8,10,26H2,(H2,27,30)(H,29,32,34)/t11-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251453 (US9452998, 2) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F Show InChI InChI=1S/C21H21F3N8O2/c22-21(23,24)34-15-4-2-7-27-16(15)13-11-29-18(26)17(30-13)20(33)31-19-14(3-1-8-28-19)32-9-5-12(25)6-10-32/h1-4,7-8,11-12H,5-6,9-10,25H2,(H2,26,29)(H,28,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251566 (US9452998, 115) Show SMILES C[C@H](CO)Nc1ccc(c(n1)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1)C(F)(F)F |r| Show InChI InChI=1S/C25H30F3N9O2/c1-14(13-38)33-18-6-5-15(25(26,27)28)19(35-18)16-12-32-21(29)20(34-16)23(39)36-22-17(4-3-9-31-22)37-10-7-24(2,30)8-11-37/h3-6,9,12,14,38H,7-8,10-11,13,30H2,1-2H3,(H2,29,32)(H,33,35)(H,31,36,39)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251498 (US9452998, 47) Show SMILES Cn1ncc2c(ncnc12)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(N)CC1 Show InChI InChI=1S/C21H23N11O/c1-31-20-13(9-28-31)16(26-11-27-20)14-10-25-18(23)17(29-14)21(33)30-19-15(3-2-6-24-19)32-7-4-12(22)5-8-32/h2-3,6,9-12H,4-5,7-8,22H2,1H3,(H2,23,25)(H,24,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50473233 (CHEMBL38655) Show SMILES OC(=O)C1C=CC=C(O)C1C(=O)c1ccc(cc1O)C(=O)OC1CCCCC[C@H]1NC(=O)c1ccc(O)cc1 |c:4,t:6| Show InChI InChI=1S/C29H29NO9/c31-18-12-9-16(10-13-18)27(35)30-21-6-2-1-3-8-24(21)39-29(38)17-11-14-19(23(33)15-17)26(34)25-20(28(36)37)5-4-7-22(25)32/h4-5,7,9-15,20-21,24-25,31-33H,1-3,6,8H2,(H,30,35)(H,36,37)/t20?,21-,24?,25?/m1/s1	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	0.270	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha				J Med Chem 44: 1530-9 (2001) Article DOI: 10.1021/jm000443d BindingDB Entry DOI: 10.7270/Q28D0007
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251495 (US9452998, 44) Show SMILES NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ccnc(n1)N1CCOCC1 Show InChI InChI=1S/C23H28N10O2/c24-15-4-8-32(9-5-15)18-2-1-6-26-21(18)31-22(34)19-20(25)28-14-17(29-19)16-3-7-27-23(30-16)33-10-12-35-13-11-33/h1-3,6-7,14-15H,4-5,8-13,24H2,(H2,25,28)(H,26,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251462 (US9452998, 11) Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ncc1C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C25H29F3N10O2/c1-24(30)4-7-37(8-5-24)17-3-2-6-31-21(17)36-22(39)19-20(29)32-14-16(34-19)18-15(25(26,27)28)13-33-23(35-18)38-9-11-40-12-10-38/h2-3,6,13-14H,4-5,7-12,30H2,1H3,(H2,29,32)(H,31,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	n/a
NOVARTIS AG US Patent					Assay Description The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharma...				US Patent US9452998 (2016) BindingDB Entry DOI: 10.7270/Q2C82870
					More data for this Ligand-Target Pair

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