Compile Data Set for Download or QSAR

Found 1819 hits with Last Name = 'klaus' and Initial = 'c'   

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
Protein kinase C alpha type (Bos taurus (bovine))	BDBM50057512 ((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...) Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12| Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine				J Med Chem 44: 1892-904 (2001) BindingDB Entry DOI: 10.7270/Q2H995WH
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041389 (Butyric acid (1aR,4aR,7aS,7bS,8R,9R,9aS)-9-butyryl...) Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=CC2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12| Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18?,19-,22-,24-,26-,27-,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50041142 ((S)-2-Amino-N-((5S,8S,16aR)-5-benzyl-4,7,13,16-tet...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O Show InChI InChI=1S/C30H38N6O6/c31-22(16-20-10-12-21(37)13-11-20)27(39)34-23-8-4-14-32-26(38)18-33-29(41)25-9-5-15-36(25)30(42)24(35-28(23)40)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-25,37H,4-5,8-9,14-18,31H2,(H,32,38)(H,33,41)(H,34,39)(H,35,40)/t22-,23-,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptors by displacement of [3H]-DAMGO from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50107120 ((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to C1b domain of protein kinase C delta with phosphatidylserine				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50107120 ((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Binding affinity for isolated C1b domain of protein kinase C-delta				J Med Chem 47: 4858-64 (2004) Article DOI: 10.1021/jm049723+ BindingDB Entry DOI: 10.7270/Q25D8SMX
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378462 (6-chloro-2-oxo-N-((1R,3r,5S)-8-(((1-(4,4,4-trifluo...) Show SMILES FC(F)(F)CCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3CC(=O)Nc3cc2Cl)CC1 |r,TLB:12:15:18.17:22.21.20| Show InChI InChI=1S/C26H34ClF3N4O4S/c27-22-14-23-17(11-24(35)32-23)10-21(22)25(36)31-18-12-19-2-3-20(13-18)34(19)39(37,38)15-16-4-8-33(9-5-16)7-1-6-26(28,29)30/h10,14,16,18-20H,1-9,11-13,15H2,(H,31,36)(H,32,35)/t18-,19+,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using varyin...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50107112 ((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Binding affinity for isolated C1b domain of protein kinase C-delta				J Med Chem 47: 4858-64 (2004) Article DOI: 10.1021/jm049723+ BindingDB Entry DOI: 10.7270/Q25D8SMX
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50107112 ((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]-PDBu binding to C1b domain of protein kinase C delta				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378462 (6-chloro-2-oxo-N-((1R,3r,5S)-8-(((1-(4,4,4-trifluo...) Show SMILES FC(F)(F)CCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3CC(=O)Nc3cc2Cl)CC1 |r,TLB:12:15:18.17:22.21.20| Show InChI InChI=1S/C26H34ClF3N4O4S/c27-22-14-23-17(11-24(35)32-23)10-21(22)25(36)31-18-12-19-2-3-20(13-18)34(19)39(37,38)15-16-4-8-33(9-5-16)7-1-6-26(28,29)30/h10,14,16,18-20H,1-9,11-13,15H2,(H,31,36)(H,32,35)/t18-,19+,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using fixed ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378459 (N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...) Show SMILES Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccccc1 |r,TLB:22:21:15.14.20:18.17| Show InChI InChI=1S/C28H34ClN5O4S/c29-25-16-26-19(13-27(35)32-26)12-24(25)28(36)31-21-14-22-6-7-23(15-21)34(22)39(37,38)33-10-8-20(9-11-33)30-17-18-4-2-1-3-5-18/h1-5,12,16,20-23,30H,6-11,13-15,17H2,(H,31,36)(H,32,35)/t21-,22+,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using varyin...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50041146 ((S)-2-Amino-3-(4-hydroxy-phenyl)-N-[(5S,8R,16aR)-5...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O Show InChI InChI=1S/C32H39N7O6/c33-23(15-19-9-11-21(40)12-10-19)29(42)37-25-7-3-13-34-28(41)18-36-31(44)27-8-4-14-39(27)32(45)26(38-30(25)43)16-20-17-35-24-6-2-1-5-22(20)24/h1-2,5-6,9-12,17,23,25-27,35,40H,3-4,7-8,13-16,18,33H2,(H,34,41)(H,36,44)(H,37,42)(H,38,43)/t23-,25+,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptors by displacement of [3H]-DAMGO from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50001465 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for delta opioid receptors was determined by displacement of [3H]DSLET from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50085880 (3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...) Show SMILES CC(C)C(C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50041148 ((S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5S,8S,13aR)-5...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O Show InChI InChI=1S/C32H37N5O5/c33-25(18-20-10-13-24(38)14-11-20)29(39)35-26-7-3-15-34-31(41)28-8-4-16-37(28)32(42)27(36-30(26)40)19-21-9-12-22-5-1-2-6-23(22)17-21/h1-2,5-6,9-14,17,25-28,38H,3-4,7-8,15-16,18-19,33H2,(H,34,41)(H,35,39)(H,36,40)/t25-,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptors by displacement of [3H]-DAMGO from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50085904 (3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...) Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Displacement of [20-3H]phorbol-12,13-dibutyrate (PDBu) from recombinant Protein kinase C alpha				J Med Chem 46: 1571-9 (2003) Article DOI: 10.1021/jm020476o BindingDB Entry DOI: 10.7270/Q2N58KQQ
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107112 ((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50085904 (3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...) Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107112 ((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant protein kinase C alpha was determined at pH 7.4, 37 degree C for 5 min				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50041144 ((S)-2-Amino-N-((5S,8S)-5-benzyl-4,7,13,16-tetraoxo...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C37H39N5O5/c38-30(19-26-15-17-29(43)18-16-26)37(47)42-23-28-14-8-7-13-27(28)22-33(42)36(46)41-32(21-25-11-5-2-6-12-25)35(45)40-31(34(39)44)20-24-9-3-1-4-10-24/h1-18,30-33,43H,19-23,38H2,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for delta opioid receptors was determined by displacement of [3H]DSLET from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50041144 ((S)-2-Amino-N-((5S,8S)-5-benzyl-4,7,13,16-tetraoxo...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C37H39N5O5/c38-30(19-26-15-17-29(43)18-16-26)37(47)42-23-28-14-8-7-13-27(28)22-33(42)36(46)41-32(21-25-11-5-2-6-12-25)35(45)40-31(34(39)44)20-24-9-3-1-4-10-24/h1-18,30-33,43H,19-23,38H2,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptors by displacement of [3H]-DAMGO from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50172488 (2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-[3-i...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=S)CC(C)C Show InChI InChI=1S/C22H38O4S/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,26-19(18)27)14-25-20(24)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to C1b domain of protein kinase C delta with phosphatidylserine				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107120 ((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant protein kinase C alpha was determined at pH 7.4, 37 degree C for 5 min				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50041141 ((S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5S,8R,16aR)-5...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccc3ccccc23)NC1=O Show InChI InChI=1S/C34H40N6O6/c35-26(18-21-12-14-24(41)15-13-21)31(43)38-27-10-4-16-36-30(42)20-37-33(45)29-11-5-17-40(29)34(46)28(39-32(27)44)19-23-8-3-7-22-6-1-2-9-25(22)23/h1-3,6-9,12-15,26-29,41H,4-5,10-11,16-20,35H2,(H,36,42)(H,37,45)(H,38,43)(H,39,44)/t26-,27+,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptors by displacement of [3H]-DAMGO from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50041145 ((S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5S,8S)-5-naph...) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=O)CNC2=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C30H38N6O6/c31-22(16-20-10-12-21(37)13-11-20)27(39)34-23-8-4-14-32-26(38)18-33-29(41)25-9-5-15-36(25)30(42)24(35-28(23)40)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-25,37H,4-5,8-9,14-18,31H2,(H,32,38)(H,33,41)(H,34,39)(H,35,40)/t22-,23+,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptors by displacement of [3H]-DAMGO from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50041145 ((S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5S,8S)-5-naph...) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=O)CNC2=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C30H38N6O6/c31-22(16-20-10-12-21(37)13-11-20)27(39)34-23-8-4-14-32-26(38)18-33-29(41)25-9-5-15-36(25)30(42)24(35-28(23)40)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-25,37H,4-5,8-9,14-18,31H2,(H,32,38)(H,33,41)(H,34,39)(H,35,40)/t22-,23+,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for delta opioid receptors was determined by displacement of [3H]DSLET from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107118 (3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C26H46O5/c1-17(2)11-21(12-18(3)4)9-10-22-14-26(15-27,31-25(22)29)16-30-24(28)13-23(19(5)6)20(7)8/h10,17-21,23,27H,9,11-16H2,1-8H3/b22-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107120 ((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378459 (N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...) Show SMILES Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccccc1 |r,TLB:22:21:15.14.20:18.17| Show InChI InChI=1S/C28H34ClN5O4S/c29-25-16-26-19(13-27(35)32-26)12-24(25)28(36)31-21-14-22-6-7-23(15-21)34(22)39(37,38)33-10-8-20(9-11-33)30-17-18-4-2-1-3-5-18/h1-5,12,16,20-23,30H,6-11,13-15,17H2,(H,31,36)(H,32,35)/t21-,22+,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Mixed type inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using fixed N-ter...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein kinase C alpha type (Bos taurus (bovine))	BDBM50368315 (PROSTRATIN) Show SMILES C[C@@H]1C[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |r,t:10,18| Show InChI InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3/t12-,15+,16-,17?,20-,21+,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine				J Med Chem 44: 1892-904 (2001) BindingDB Entry DOI: 10.7270/Q2H995WH
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107121 (CHEMBL135779 | N-Hydroxy-N-[2-hydroxymethyl-4-(3-i...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(CN(O)C(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H39NO5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(14-24,28-19(18)25)13-23(27)20(26)21(5,6)7/h9,15-17,24,27H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107115 (CHEMBL94505 | N-Hydroxy-N-[2-hydroxymethyl-4-(3-is...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(CN(O)C(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H39NO5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(14-24,28-19(18)25)13-23(27)20(26)21(5,6)7/h9,15-17,24,27H,8,10-14H2,1-7H3/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50041143 ((S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5S,8S,16aR)-5...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O Show InChI InChI=1S/C34H40N6O6/c35-26(18-21-10-13-25(41)14-11-21)31(43)38-27-7-3-15-36-30(42)20-37-33(45)29-8-4-16-40(29)34(46)28(39-32(27)44)19-22-9-12-23-5-1-2-6-24(23)17-22/h1-2,5-6,9-14,17,26-29,41H,3-4,7-8,15-16,18-20,35H2,(H,36,42)(H,37,45)(H,38,43)(H,39,44)/t26-,27-,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptors by displacement of [3H]-DAMGO from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50041149 ((S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5R,8R,15aS)-5...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O Show InChI InChI=1S/C33H38N6O6/c34-25(17-20-8-11-24(40)12-9-20)30(42)37-26-13-14-35-29(41)19-36-32(44)28-6-3-15-39(28)33(45)27(38-31(26)43)18-21-7-10-22-4-1-2-5-23(22)16-21/h1-2,4-5,7-12,16,25-28,40H,3,6,13-15,17-19,34H2,(H,35,41)(H,36,44)(H,37,42)(H,38,43)/t25-,26+,27+,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptors by displacement of [3H]-DAMGO from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107116 (3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C26H46O5/c1-17(2)11-21(12-18(3)4)9-10-22-14-26(15-27,31-25(22)29)16-30-24(28)13-23(19(5)6)20(7)8/h10,17-21,23,27H,9,11-16H2,1-8H3/b22-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107119 ((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C Show InChI InChI=1S/C20H34O5/c1-13(2)16(14(3)4)9-8-15-10-20(11-21,25-17(15)22)12-24-18(23)19(5,6)7/h8,13-14,16,21H,9-12H2,1-7H3/b15-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50001465 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptors by displacement of [3H]-DAMGO from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50041146 ((S)-2-Amino-3-(4-hydroxy-phenyl)-N-[(5S,8R,16aR)-5...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O Show InChI InChI=1S/C32H39N7O6/c33-23(15-19-9-11-21(40)12-10-19)29(42)37-25-7-3-13-34-28(41)18-36-31(44)27-8-4-14-39(27)32(45)26(38-30(25)43)16-20-17-35-24-6-2-1-5-22(20)24/h1-2,5-6,9-12,17,23,25-27,35,40H,3-4,7-8,13-16,18,33H2,(H,34,41)(H,36,44)(H,37,42)(H,38,43)/t23-,25+,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for delta opioid receptors was determined by displacement of [3H]DSLET from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107111 ((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)C(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C Show InChI InChI=1S/C20H34O5/c1-13(2)16(14(3)4)9-8-15-10-20(11-21,25-17(15)22)12-24-18(23)19(5,6)7/h8,13-14,16,21H,9-12H2,1-7H3/b15-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50127016 (3-Methyl-butyric acid 3-hydroxymethyl-4-(3-isoprop...) Show SMILES CC(C)CC(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1 Show InChI InChI=1S/C20H34O5/c1-13(2)9-18(22)24-12-20(11-21)10-16(19(23)25-20)7-8-17(14(3)4)15(5)6/h7,13-15,17,21H,8-12H2,1-6H3/b16-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Displacement of [20-3H]phorbol-12,13-dibutyrate (PDBu) from recombinant Protein kinase C alpha				J Med Chem 46: 1571-9 (2003) Article DOI: 10.1021/jm020476o BindingDB Entry DOI: 10.7270/Q2N58KQQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50041142 ((S)-2-Amino-N-((5S,8S,16aR)-5-benzyl-4,7,13,16-tet...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O Show InChI InChI=1S/C30H38N6O6/c31-22(16-20-10-12-21(37)13-11-20)27(39)34-23-8-4-14-32-26(38)18-33-29(41)25-9-5-15-36(25)30(42)24(35-28(23)40)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-25,37H,4-5,8-9,14-18,31H2,(H,32,38)(H,33,41)(H,34,39)(H,35,40)/t22-,23-,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for delta opioid receptors was determined by displacement of [3H]DSLET from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50127018 (3-Isopropyl-4-methyl-pentanoic acid 3-hydroxymethy...) Show SMILES CC(C)C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O Show InChI InChI=1S/C20H34O5/c1-13(2)7-8-16-10-20(11-21,25-19(16)23)12-24-18(22)9-17(14(3)4)15(5)6/h8,13-15,17,21H,7,9-12H2,1-6H3/b16-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Displacement of [20-3H]phorbol-12,13-dibutyrate (PDBu) from recombinant Protein kinase C alpha				J Med Chem 46: 1571-9 (2003) Article DOI: 10.1021/jm020476o BindingDB Entry DOI: 10.7270/Q2N58KQQ
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50127015 (3-Isopropyl-4-methyl-pentanoic acid 3-hydroxymethy...) Show SMILES CC(C)C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O Show InChI InChI=1S/C20H34O5/c1-13(2)7-8-16-10-20(11-21,25-19(16)23)12-24-18(22)9-17(14(3)4)15(5)6/h8,13-15,17,21H,7,9-12H2,1-6H3/b16-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Displacement of [20-3H]phorbol-12,13-dibutyrate (PDBu) from recombinant Protein kinase C alpha				J Med Chem 46: 1571-9 (2003) Article DOI: 10.1021/jm020476o BindingDB Entry DOI: 10.7270/Q2N58KQQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50041147 ((S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5S,8S,17aR)-5...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O Show InChI InChI=1S/C35H42N6O6/c36-27(19-22-11-14-26(42)15-12-22)32(44)39-28-8-3-4-16-37-31(43)21-38-34(46)30-9-5-17-41(30)35(47)29(40-33(28)45)20-23-10-13-24-6-1-2-7-25(24)18-23/h1-2,6-7,10-15,18,27-30,42H,3-5,8-9,16-17,19-21,36H2,(H,37,43)(H,38,46)(H,39,44)(H,40,45)/t27-,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptors by displacement of [3H]-DAMGO from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50041143 ((S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5S,8S,16aR)-5...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O Show InChI InChI=1S/C34H40N6O6/c35-26(18-21-10-13-25(41)14-11-21)31(43)38-27-7-3-15-36-30(42)20-37-33(45)29-8-4-16-40(29)34(46)28(39-32(27)44)19-22-9-12-23-5-1-2-6-24(23)17-22/h1-2,5-6,9-14,17,26-29,41H,3-4,7-8,15-16,18-20,35H2,(H,36,42)(H,37,45)(H,38,43)(H,39,44)/t26-,27-,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for delta opioid receptors was determined by displacement of [3H]DSLET from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041401 ((1S,3R,4S,9R,13S,14R)-13-Hydroxy-9-((R)-1-hydroxy-...) Show SMILES CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23CC(OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26?,29+,31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50172487 (2,2-Dimethyl-thiopropionic acid O-{2-hydroxymethyl...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=S)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O4S/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,26-19(18)24)14-25-20(27)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to C1b domain of protein kinase C delta with phosphatidylserine				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50172488 (2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-[3-i...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=S)CC(C)C Show InChI InChI=1S/C22H38O4S/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,26-19(18)27)14-25-20(24)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant protein kinase C alpha was determined at pH 7.4, 37 degree C for 5 min				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50041141 ((S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5S,8R,16aR)-5...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccc3ccccc23)NC1=O Show InChI InChI=1S/C34H40N6O6/c35-26(18-21-12-14-24(41)15-13-21)31(43)38-27-10-4-16-36-30(42)20-37-33(45)29-11-5-17-40(29)34(46)28(39-32(27)44)19-23-8-3-7-22-6-1-2-9-25(22)23/h1-3,6-9,12-15,26-29,41H,4-5,10-11,16-20,35H2,(H,36,42)(H,37,45)(H,38,43)(H,39,44)/t26-,27+,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for delta opioid receptors was determined by displacement of [3H]DSLET from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Bos taurus (bovine))	BDBM50100125 (3-Isopropyl-4-methyl-pent-2-enoic acid 3-hydroxy-2...) Show SMILES [#6]-[#6](-[#6])-[#6](-[#6]-[#6](=O)-[#8]-[#6@@H](-[#6]-[#8])-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6] Show InChI InChI=1S/C21H38O5/c1-13(2)18(14(3)4)9-20(23)25-12-17(11-22)26-21(24)10-19(15(5)6)16(7)8/h9,13-17,19,22H,10-12H2,1-8H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	24.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine				J Med Chem 44: 1892-904 (2001) BindingDB Entry DOI: 10.7270/Q2H995WH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50041148 ((S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5S,8S,13aR)-5...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O Show InChI InChI=1S/C32H37N5O5/c33-25(18-20-10-13-24(38)14-11-20)29(39)35-26-7-3-15-34-31(41)28-8-4-16-37(28)32(42)27(36-30(26)40)19-21-9-12-22-5-1-2-6-23(22)17-21/h1-2,5-6,9-14,17,25-28,38H,3-4,7-8,15-16,18-19,33H2,(H,34,41)(H,35,39)(H,36,40)/t25-,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for delta opioid receptors was determined by displacement of [3H]DSLET from rat brain membrane binding site				J Med Chem 37: 1136-44 (1994) BindingDB Entry DOI: 10.7270/Q22Z1650
					More data for this Ligand-Target Pair

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