Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'rong' and Initial = 'sb'   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111036 (Benzoic acid 9-(3-chloro-4-iodo-benzylidene)-7-aza...) Show SMILES Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1I |TLB:13:12:5.6:8.24,THB:10:11:5.6:8.24| Show InChI InChI=1S/C24H23ClINO2/c25-21-11-15(6-8-22(21)26)10-17-13-27-18-7-9-23(27)20(19(17)12-18)14-29-24(28)16-4-2-1-3-5-16/h1-6,8,10-11,18-20,23H,7,9,12-14H2/b17-10+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Protein kinase C delta type (Mus musculus)	BDBM50057514 ((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-5...) Show SMILES CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc3c[nH]c1c23 Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)/t20-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]- PDBu from Protein kinase C delta C1b domain				J Med Chem 45: 853-60 (2002) BindingDB Entry DOI: 10.7270/Q20C4V25
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111035 (Benzoic acid 9-(4-iodo-benzylidene)-7-aza-tricyclo...) Show SMILES Ic1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1 |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25| Show InChI InChI=1S/C24H24INO2/c25-19-8-6-16(7-9-19)12-18-14-26-20-10-11-23(26)22(21(18)13-20)15-28-24(27)17-4-2-1-3-5-17/h1-9,12,20-23H,10-11,13-15H2/b18-12+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50099066 (CHEMBL279115 | phorbol 13-acetate 12-myristate) Show SMILES CCCCCCCCCCCCCC(=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(C)=O |r,c:33,t:22| Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C epsilon				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50099066 (CHEMBL279115 | phorbol 13-acetate 12-myristate) Show SMILES CCCCCCCCCCCCCC(=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(C)=O |r,c:33,t:22| Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C delta				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
RAS guanyl-releasing protein 1 (Rattus norvegicus)	BDBM50057514 ((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-5...) Show SMILES CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc3c[nH]c1c23 Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)/t20-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity against RAS guanyl releasing protein using [3H]- PDBu as the labeled ligand				J Med Chem 45: 853-60 (2002) BindingDB Entry DOI: 10.7270/Q20C4V25
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111029 (Benzoic acid 9-[1-thiophen-2-yl-meth-(Z)-ylidene]-...) Show SMILES O=C(OCC1C2CCC3CC1\C(CN23)=C\c1cccs1)c1ccccc1 |TLB:3:4:11.12:8.9,6:5:11.12:8.9| Show InChI InChI=1S/C22H23NO2S/c24-22(15-5-2-1-3-6-15)25-14-20-19-12-17-8-9-21(20)23(17)13-16(19)11-18-7-4-10-26-18/h1-7,10-11,17,19-21H,8-9,12-14H2/b16-11+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50099066 (CHEMBL279115 | phorbol 13-acetate 12-myristate) Show SMILES CCCCCCCCCCCCCC(=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(C)=O |r,c:33,t:22| Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C beta				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Mus musculus)	BDBM50057511 ((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...) Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23 Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	2.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]- PDBu from Protein kinase C delta C1b domain				J Med Chem 45: 853-60 (2002) BindingDB Entry DOI: 10.7270/Q20C4V25
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50099066 (CHEMBL279115 | phorbol 13-acetate 12-myristate) Show SMILES CCCCCCCCCCCCCC(=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(C)=O |r,c:33,t:22| Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG 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
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C alpha				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
RAS guanyl-releasing protein 1 (Rattus norvegicus)	BDBM50057511 ((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...) Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23 Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	2.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity against RAS guanyl releasing protein using [3H]- PDBu as the labeled ligand				J Med Chem 45: 853-60 (2002) BindingDB Entry DOI: 10.7270/Q20C4V25
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50111026 (9-[1-(5-Methyl-thiophen-2-yl)-meth-(Z)-ylidene]-7-...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9| Show InChI InChI=1S/C17H21NO2S/c1-10-3-5-13(21-10)7-11-9-18-12-4-6-15(18)16(14(11)8-12)17(19)20-2/h3,5,7,12,14-16H,4,6,8-9H2,1-2H3/b11-7+	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-NE reuptake at Norepinephrine transporter in rat parietal/occipital cortex				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Protein kinase C gamma type (Homo sapiens (Human))	BDBM50099066 (CHEMBL279115 | phorbol 13-acetate 12-myristate) Show SMILES CCCCCCCCCCCCCC(=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(C)=O |r,c:33,t:22| Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C gamma				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50111028 (9-[1-(5-Iodo-thiophen-2-yl)-meth-(Z)-ylidene]-7-az...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9| Show InChI InChI=1S/C16H18INO2S/c1-20-16(19)15-12-7-10-2-4-13(15)18(10)8-9(12)6-11-3-5-14(17)21-11/h3,5-6,10,12-13,15H,2,4,7-8H2,1H3/b9-6+	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-NE reuptake at Norepinephrine transporter in rat parietal/occipital cortex				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
RAS guanyl-releasing protein 1 (Rattus norvegicus)	BDBM50057509 ((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1...) Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1 Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity against RAS guanyl releasing protein using [3H]- PDBu as the labeled ligand				J Med Chem 45: 853-60 (2002) BindingDB Entry DOI: 10.7270/Q20C4V25
					More data for this Ligand-Target Pair
Protein kinase C delta type (Mus musculus)	BDBM50057509 ((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1...) Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1 Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]- PDBu from Protein kinase C delta C1b domain				J Med Chem 45: 853-60 (2002) BindingDB Entry DOI: 10.7270/Q20C4V25
					More data for this Ligand-Target Pair
RAS guanyl-releasing protein 1 (Rattus norvegicus)	BDBM50096601 ((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-7...) Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1OC Show InChI InChI=1S/C26H40N2O3/c1-6-7-8-9-10-11-12-13-14-20-15-16-23-22(25(20)31-5)17-21(18-29)27-26(30)24(19(2)3)28(23)4/h15-16,19,21,24,29H,6-12,17-18H2,1-5H3,(H,27,30)/t21-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity against RAS guanyl releasing protein using [3H]- PDBu as the labeled ligand				J Med Chem 45: 853-60 (2002) BindingDB Entry DOI: 10.7270/Q20C4V25
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50057509 ((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1...) Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1 Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C alpha				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50111025 (9-[1-Thiophen-2-yl-meth-(Z)-ylidene]-7-aza-tricycl...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9| Show InChI InChI=1S/C16H19NO2S/c1-19-16(18)15-13-8-11-4-5-14(15)17(11)9-10(13)7-12-3-2-6-20-12/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3/b10-7+	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-NE reuptake at Norepinephrine transporter in rat parietal/occipital cortex				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111028 (9-[1-(5-Iodo-thiophen-2-yl)-meth-(Z)-ylidene]-7-az...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9| Show InChI InChI=1S/C16H18INO2S/c1-20-16(19)15-12-7-10-2-4-13(15)18(10)8-9(12)6-11-3-5-14(17)21-11/h3,5-6,10,12-13,15H,2,4,7-8H2,1H3/b9-6+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Protein kinase C delta type (Mus musculus)	BDBM50096601 ((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-7...) Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1OC Show InChI InChI=1S/C26H40N2O3/c1-6-7-8-9-10-11-12-13-14-20-15-16-23-22(25(20)31-5)17-21(18-29)27-26(30)24(19(2)3)28(23)4/h15-16,19,21,24,29H,6-12,17-18H2,1-5H3,(H,27,30)/t21-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]- PDBu from Protein kinase C delta C1b domain				J Med Chem 45: 853-60 (2002) BindingDB Entry DOI: 10.7270/Q20C4V25
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50057509 ((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1...) Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1 Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C epsilon				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Protein kinase C gamma type (Homo sapiens (Human))	BDBM50057509 ((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1...) Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1 Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C gamma				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50111030 (9-[1-Thiophen-2-yl-meth-(Z)-ylidene]-7-aza-tricycl...) Show SMILES CC(C)OC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:4:6:15:8.9,4:6:13.14:10.11,8:7:13.14:10.11,THB:13:12:15:8.9,14:15:6.12.11:8.9| Show InChI InChI=1S/C18H23NO2S/c1-11(2)21-18(20)17-15-9-13-5-6-16(17)19(13)10-12(15)8-14-4-3-7-22-14/h3-4,7-8,11,13,15-17H,5-6,9-10H2,1-2H3/b12-8+	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-NE reuptake at Norepinephrine transporter in rat parietal/occipital cortex				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50057509 ((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1...) Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1 Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C beta				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-NE reuptake at Norepinephrine transporter in rat parietal/occipital cortex				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50057509 ((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1...) Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1 Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C delta				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50099067 (CHEMBL173348 | Dodecanoic acid (3S,3aR,8S,8aS)-3-h...) Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@](C)(C(C)C)c2c1 Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C delta				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111032 (2,2-Dimethyl-propionic acid 9-[1-thiophen-2-yl-met...) Show SMILES CC(C)(C)C(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:7:8:15.16:12.13,10:9:15.16:12.13| Show InChI InChI=1S/C20H27NO2S/c1-20(2,3)19(22)23-12-17-16-10-14-6-7-18(17)21(14)11-13(16)9-15-5-4-8-24-15/h4-5,8-9,14,16-18H,6-7,10-12H2,1-3H3/b13-9+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111027 (CHEMBL369497 | Naphthalene-2-carboxylic acid 9-[1-...) Show SMILES O=C(OCC1C2CCC3CC1\C(CN23)=C\c1cccs1)c1ccc2ccccc2c1 |TLB:3:4:11.12:8.9,6:5:11.12:8.9| Show InChI InChI=1S/C26H25NO2S/c28-26(19-8-7-17-4-1-2-5-18(17)12-19)29-16-24-23-14-21-9-10-25(24)27(21)15-20(23)13-22-6-3-11-30-22/h1-8,11-13,21,23-25H,9-10,14-16H2/b20-13+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111026 (9-[1-(5-Methyl-thiophen-2-yl)-meth-(Z)-ylidene]-7-...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9| Show InChI InChI=1S/C17H21NO2S/c1-10-3-5-13(21-10)7-11-9-18-12-4-6-15(18)16(14(11)8-12)17(19)20-2/h3,5,7,12,14-16H,4,6,8-9H2,1-2H3/b11-7+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Protein kinase C gamma type (Homo sapiens (Human))	BDBM50099064 (CHEMBL368720 | Dodecanoic acid (3S,3aR,8R,8aS)-3-h...) Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1 Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C gamma				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50099067 (CHEMBL173348 | Dodecanoic acid (3S,3aR,8S,8aS)-3-h...) Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@](C)(C(C)C)c2c1 Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	228	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C epsilon				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]DA reuptake at dopamine transporter in rat striatum				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50111025 (9-[1-Thiophen-2-yl-meth-(Z)-ylidene]-7-aza-tricycl...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9| Show InChI InChI=1S/C16H19NO2S/c1-19-16(18)15-13-8-11-4-5-14(15)17(11)9-10(13)7-12-3-2-6-20-12/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3/b10-7+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	268	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]DA reuptake at dopamine transporter in rat striatum				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Protein kinase C gamma type (Homo sapiens (Human))	BDBM50099065 ((3S,3aR,8R,8aS)-6-Dec-1-ynyl-3-hydroxymethyl-8-iso...) Show SMILES CCCCCCCCC#Cc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1 Show InChI InChI=1S/C26H37NO2/c1-5-6-7-8-9-10-11-12-13-19-14-15-20-21(16-19)26(4,18(2)3)24-23(20)22(17-28)27-25(24)29/h14-16,18,22-24,28H,5-11,17H2,1-4H3,(H,27,29)/t22-,23-,24-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	279	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C gamma				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50111031 (Acetic acid 9-[1-thiophen-2-yl-meth-(Z)-ylidene]-7...) Show SMILES CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10| Show InChI InChI=1S/C17H21NO2S/c1-11(19)20-10-16-15-8-13-4-5-17(16)18(13)9-12(15)7-14-3-2-6-21-14/h2-3,6-7,13,15-17H,4-5,8-10H2,1H3/b12-7+	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	283	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-NE reuptake at Norepinephrine transporter in rat parietal/occipital cortex				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Protein kinase C gamma type (Homo sapiens (Human))	BDBM50099067 (CHEMBL173348 | Dodecanoic acid (3S,3aR,8S,8aS)-3-h...) Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@](C)(C(C)C)c2c1 Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	327	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C gamma				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50111028 (9-[1-(5-Iodo-thiophen-2-yl)-meth-(Z)-ylidene]-7-az...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9| Show InChI InChI=1S/C16H18INO2S/c1-20-16(19)15-12-7-10-2-4-13(15)18(10)8-9(12)6-11-3-5-14(17)21-11/h3,5-6,10,12-13,15H,2,4,7-8H2,1H3/b9-6+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	368	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]DA reuptake at dopamine transporter in rat striatum				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50099064 (CHEMBL368720 | Dodecanoic acid (3S,3aR,8R,8aS)-3-h...) Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1 Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	395	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C alpha				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50111026 (9-[1-(5-Methyl-thiophen-2-yl)-meth-(Z)-ylidene]-7-...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9| Show InChI InChI=1S/C17H21NO2S/c1-10-3-5-13(21-10)7-11-9-18-12-4-6-15(18)16(14(11)8-12)17(19)20-2/h3,5,7,12,14-16H,4,6,8-9H2,1-2H3/b11-7+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	403	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]DA reuptake at dopamine transporter in rat striatum				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50111030 (9-[1-Thiophen-2-yl-meth-(Z)-ylidene]-7-aza-tricycl...) Show SMILES CC(C)OC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:4:6:15:8.9,4:6:13.14:10.11,8:7:13.14:10.11,THB:13:12:15:8.9,14:15:6.12.11:8.9| Show InChI InChI=1S/C18H23NO2S/c1-11(2)21-18(20)17-15-9-13-5-6-16(17)19(13)10-12(15)8-14-4-3-7-22-14/h3-4,7-8,11,13,15-17H,5-6,9-10H2,1-2H3/b12-8+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	428	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]DA reuptake at dopamine transporter in rat striatum				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50099065 ((3S,3aR,8R,8aS)-6-Dec-1-ynyl-3-hydroxymethyl-8-iso...) Show SMILES CCCCCCCCC#Cc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1 Show InChI InChI=1S/C26H37NO2/c1-5-6-7-8-9-10-11-12-13-19-14-15-20-21(16-19)26(4,18(2)3)24-23(20)22(17-28)27-25(24)29/h14-16,18,22-24,28H,5-11,17H2,1-4H3,(H,27,29)/t22-,23-,24-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	469	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C epsilon				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50099064 (CHEMBL368720 | Dodecanoic acid (3S,3aR,8R,8aS)-3-h...) Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1 Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	515	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C epsilon				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50099065 ((3S,3aR,8R,8aS)-6-Dec-1-ynyl-3-hydroxymethyl-8-iso...) Show SMILES CCCCCCCCC#Cc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1 Show InChI InChI=1S/C26H37NO2/c1-5-6-7-8-9-10-11-12-13-19-14-15-20-21(16-19)26(4,18(2)3)24-23(20)22(17-28)27-25(24)29/h14-16,18,22-24,28H,5-11,17H2,1-4H3,(H,27,29)/t22-,23-,24-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C alpha				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50099064 (CHEMBL368720 | Dodecanoic acid (3S,3aR,8R,8aS)-3-h...) Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1 Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	593	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C beta				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50111031 (Acetic acid 9-[1-thiophen-2-yl-meth-(Z)-ylidene]-7...) Show SMILES CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10| Show InChI InChI=1S/C17H21NO2S/c1-11(19)20-10-16-15-8-13-4-5-17(16)18(13)9-12(15)7-14-3-2-6-21-14/h2-3,6-7,13,15-17H,4-5,8-10H2,1H3/b12-7+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]DA reuptake at dopamine transporter in rat striatum				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50099067 (CHEMBL173348 | Dodecanoic acid (3S,3aR,8S,8aS)-3-h...) Show SMILES CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@](C)(C(C)C)c2c1 Show InChI InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-11-12-13-14-24(31)33-20-15-16-21-22(17-20)28(4,19(2)3)26-25(21)23(18-30)29-27(26)32/h15-17,19,23,25-26,30H,5-14,18H2,1-4H3,(H,29,32)/t23-,25-,26-,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	674	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C alpha				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50099065 ((3S,3aR,8R,8aS)-6-Dec-1-ynyl-3-hydroxymethyl-8-iso...) Show SMILES CCCCCCCCC#Cc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1 Show InChI InChI=1S/C26H37NO2/c1-5-6-7-8-9-10-11-12-13-19-14-15-20-21(16-19)26(4,18(2)3)24-23(20)22(17-28)27-25(24)29/h14-16,18,22-24,28H,5-11,17H2,1-4H3,(H,27,29)/t22-,23-,24-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	701	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C beta				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					More data for this Ligand-Target Pair

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