Compile Data Set for Download or QSAR

Found 669 hits with Last Name = 'cooke' and Initial = 'ng'   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM33971 (AEB071 | Sotrastaurin | med.21724, Compound 190) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11| Show InChI InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4-catalyzed midazolam 1'-hydroxylation in human liver microsomes				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50393214 (CHEMBL2151411) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11| Show InChI InChI=1S/C26H24N6O2/c1-15-6-5-8-16-18(14-27-22(15)16)20-21(25(34)30-24(20)33)23-17-7-3-4-9-19(17)28-26(29-23)32-12-10-31(2)11-13-32/h3-9,14,27H,10-13H2,1-2H3,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCdelta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50393214 (CHEMBL2151411) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11| Show InChI InChI=1S/C26H24N6O2/c1-15-6-5-8-16-18(14-27-22(15)16)20-21(25(34)30-24(20)33)23-17-7-3-4-9-19(17)28-26(29-23)32-12-10-31(2)11-13-32/h3-9,14,27H,10-13H2,1-2H3,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCtheta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50393214 (CHEMBL2151411) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11| Show InChI InChI=1S/C26H24N6O2/c1-15-6-5-8-16-18(14-27-22(15)16)20-21(25(34)30-24(20)33)23-17-7-3-4-9-19(17)28-26(29-23)32-12-10-31(2)11-13-32/h3-9,14,27H,10-13H2,1-2H3,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCbeta-1 by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50393218 (CHEMBL1996510) Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCNCC1 |c:5| Show InChI InChI=1S/C24H20N6O2/c31-22-19(16-13-26-17-7-3-1-5-14(16)17)20(23(32)29-22)21-15-6-2-4-8-18(15)27-24(28-21)30-11-9-25-10-12-30/h1-8,13,25-26H,9-12H2,(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCdelta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50393214 (CHEMBL2151411) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11| Show InChI InChI=1S/C26H24N6O2/c1-15-6-5-8-16-18(14-27-22(15)16)20-21(25(34)30-24(20)33)23-17-7-3-4-9-19(17)28-26(29-23)32-12-10-31(2)11-13-32/h3-9,14,27H,10-13H2,1-2H3,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCalpha by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50393218 (CHEMBL1996510) Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCNCC1 |c:5| Show InChI InChI=1S/C24H20N6O2/c31-22-19(16-13-26-17-7-3-1-5-14(16)17)20(23(32)29-22)21-15-6-2-4-8-18(15)27-24(28-21)30-11-9-25-10-12-30/h1-8,13,25-26H,9-12H2,(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCtheta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50234732 ((2,6-dimethylphenyl)(4-methyl-4-(4-(phenyl(pyridin...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 Show InChI InChI=1S/C31H38N4O/c1-24-9-7-10-25(2)29(24)30(36)33-21-16-31(3,17-22-33)34-19-14-27(15-20-34)35(26-11-5-4-6-12-26)28-13-8-18-32-23-28/h4-13,18,23,27H,14-17,19-22H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50393218 (CHEMBL1996510) Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCNCC1 |c:5| Show InChI InChI=1S/C24H20N6O2/c31-22-19(16-13-26-17-7-3-1-5-14(16)17)20(23(32)29-22)21-15-6-2-4-8-18(15)27-24(28-21)30-11-9-25-10-12-30/h1-8,13,25-26H,9-12H2,(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCalpha by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50393228 (CHEMBL2153750) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(F)ccc2n1 |t:11| Show InChI InChI=1S/C25H21FN6O2/c1-31-8-10-32(11-9-31)25-28-19-7-6-14(26)12-16(19)22(29-25)21-20(23(33)30-24(21)34)17-13-27-18-5-3-2-4-15(17)18/h2-7,12-13,27H,8-11H2,1H3,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCdelta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50393218 (CHEMBL1996510) Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCNCC1 |c:5| Show InChI InChI=1S/C24H20N6O2/c31-22-19(16-13-26-17-7-3-1-5-14(16)17)20(23(32)29-22)21-15-6-2-4-8-18(15)27-24(28-21)30-11-9-25-10-12-30/h1-8,13,25-26H,9-12H2,(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCbeta-1 by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50281849 (CHEMBL4175305) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(O[C@@H](C)c3ccccc3)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C23H23ClN2O4S/c1-3-31(28,29)20-11-9-17(10-12-20)13-22(27)26-19-14-21(24)23(25-15-19)30-16(2)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,26,27)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inverse agonist activity at human His6-tagged RORgammat LBD (264 to 518 residues) assessed as reduction in biotinylated RIP140 co-activator recruitme...				J Med Chem 61: 6724-6735 (2018) Article DOI: 10.1021/acs.jmedchem.8b00529 BindingDB Entry DOI: 10.7270/Q2Z60RK3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein kinase C theta type (Homo sapiens (Human))	BDBM50393228 (CHEMBL2153750) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(F)ccc2n1 |t:11| Show InChI InChI=1S/C25H21FN6O2/c1-31-8-10-32(11-9-31)25-28-19-7-6-14(26)12-16(19)22(29-25)21-20(23(33)30-24(21)34)17-13-27-18-5-3-2-4-15(17)18/h2-7,12-13,27H,8-11H2,1H3,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCtheta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143734 (3-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccccc1 Show InChI InChI=1S/C33H39N5O2/c1-25-12-19-38(40)26(2)31(25)32(39)35-20-15-33(3,16-21-35)36-17-13-30(14-18-36)37(29-10-5-4-6-11-29)24-28-9-7-8-27(22-28)23-34/h4-12,19,22,30H,13-18,20-21,24H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Macaca fascicularis)	BDBM50143736 ((2,6-Dimethyl-phenyl)-(4-diphenylamino-4'-methyl-[...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H39N3O/c1-25-11-10-12-26(2)30(25)31(36)33-23-19-32(3,20-24-33)34-21-17-29(18-22-34)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,29H,17-24H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50393214 (CHEMBL2151411) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11| Show InChI InChI=1S/C26H24N6O2/c1-15-6-5-8-16-18(14-27-22(15)16)20-21(25(34)30-24(20)33)23-17-7-3-4-9-19(17)28-26(29-23)32-12-10-31(2)11-13-32/h3-9,14,27H,10-13H2,1-2H3,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCepsilon by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50234726 ((3,5-dichloropyridin-4-yl)(4-methyl-4-(4-(phenyl(p...) Show SMILES CC1(CCN(CC1)C(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(c1ccccc1)c1cccnc1 Show InChI InChI=1S/C28H31Cl2N5O/c1-28(11-16-33(17-12-28)27(36)26-24(29)19-32-20-25(26)30)34-14-9-22(10-15-34)35(21-6-3-2-4-7-21)23-8-5-13-31-18-23/h2-8,13,18-20,22H,9-12,14-17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Macaca fascicularis)	BDBM50234728 ((2,4-dimethylpyridin-3-yl)(4-methyl-4-(4-(phenyl(p...) Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 Show InChI InChI=1S/C30H37N5O/c1-23-11-17-32-24(2)28(23)29(36)33-20-14-30(3,15-21-33)34-18-12-26(13-19-34)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16-17,22,26H,12-15,18-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50234728 ((2,4-dimethylpyridin-3-yl)(4-methyl-4-(4-(phenyl(p...) Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 Show InChI InChI=1S/C30H37N5O/c1-23-11-17-32-24(2)28(23)29(36)33-20-14-30(3,15-21-33)34-18-12-26(13-19-34)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16-17,22,26H,12-15,18-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50393218 (CHEMBL1996510) Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCNCC1 |c:5| Show InChI InChI=1S/C24H20N6O2/c31-22-19(16-13-26-17-7-3-1-5-14(16)17)20(23(32)29-22)21-15-6-2-4-8-18(15)27-24(28-21)30-11-9-25-10-12-30/h1-8,13,25-26H,9-12H2,(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCepsilon by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM33970 (maleimide derivative, 12) Show SMILES CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1 |t:11| Show InChI InChI=1S/C27H24N4O2/c1-30-10-12-31(13-11-30)18-14-17-6-2-3-7-19(17)21(15-18)24-25(27(33)29-26(24)32)22-16-28-23-9-5-4-8-20(22)23/h2-9,14-16,28H,10-13H2,1H3,(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCalpha by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM33971 (AEB071 | Sotrastaurin | med.21724, Compound 190) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11| Show InChI InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCtheta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50393219 (CHEMBL2151415) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCNCC2)c2ccccc12 |t:4| Show InChI InChI=1S/C25H22N6O2/c1-30-14-17(15-6-3-5-9-19(15)30)20-21(24(33)29-23(20)32)22-16-7-2-4-8-18(16)27-25(28-22)31-12-10-26-11-13-31/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCdelta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50393228 (CHEMBL2153750) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(F)ccc2n1 |t:11| Show InChI InChI=1S/C25H21FN6O2/c1-31-8-10-32(11-9-31)25-28-19-7-6-14(26)12-16(19)22(29-25)21-20(23(33)30-24(21)34)17-13-27-18-5-3-2-4-15(17)18/h2-7,12-13,27H,8-11H2,1H3,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCalpha by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143756 ((4,6-Dimethyl-pyrimidin-5-yl)-(4-diphenylamino-4'-...) Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H37N5O/c1-23-28(24(2)32-22-31-23)29(36)33-20-16-30(3,17-21-33)34-18-14-27(15-19-34)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM50393218 (CHEMBL1996510) Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCNCC1 |c:5| Show InChI InChI=1S/C24H20N6O2/c31-22-19(16-13-26-17-7-3-1-5-14(16)17)20(23(32)29-22)21-15-6-2-4-8-18(15)27-24(28-21)30-11-9-25-10-12-30/h1-8,13,25-26H,9-12H2,(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCeta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50234725 ((3,5-dichloro-1-oxy-pyridin-4-yl)-[4'-methyl-4-(ph...) Show SMILES CC1(CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)N1CCC(CC1)N(c1ccccc1)c1cccnc1 Show InChI InChI=1S/C28H31Cl2N5O2/c1-28(11-16-32(17-12-28)27(36)26-24(29)19-34(37)20-25(26)30)33-14-9-22(10-15-33)35(21-6-3-2-4-7-21)23-8-5-13-31-18-23/h2-8,13,18-20,22H,9-12,14-17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Macaca fascicularis)	BDBM50234732 ((2,6-dimethylphenyl)(4-methyl-4-(4-(phenyl(pyridin...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 Show InChI InChI=1S/C31H38N4O/c1-24-9-7-10-25(2)29(24)30(36)33-21-16-31(3,17-22-33)34-19-14-27(15-20-34)35(26-11-5-4-6-12-26)28-13-8-18-32-23-28/h4-13,18,23,27H,14-17,19-22H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Macaca fascicularis)	BDBM50143757 ((2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-me...) Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50393229 (CHEMBL2153751) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(Cl)ccc2n1 |t:11| Show InChI InChI=1S/C25H21ClN6O2/c1-31-8-10-32(11-9-31)25-28-19-7-6-14(26)12-16(19)22(29-25)21-20(23(33)30-24(21)34)17-13-27-18-5-3-2-4-15(17)18/h2-7,12-13,27H,8-11H2,1H3,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCdelta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50393229 (CHEMBL2153751) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(Cl)ccc2n1 |t:11| Show InChI InChI=1S/C25H21ClN6O2/c1-31-8-10-32(11-9-31)25-28-19-7-6-14(26)12-16(19)22(29-25)21-20(23(33)30-24(21)34)17-13-27-18-5-3-2-4-15(17)18/h2-7,12-13,27H,8-11H2,1H3,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCtheta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50393228 (CHEMBL2153750) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(F)ccc2n1 |t:11| Show InChI InChI=1S/C25H21FN6O2/c1-31-8-10-32(11-9-31)25-28-19-7-6-14(26)12-16(19)22(29-25)21-20(23(33)30-24(21)34)17-13-27-18-5-3-2-4-15(17)18/h2-7,12-13,27H,8-11H2,1H3,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCbeta-1 by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50393219 (CHEMBL2151415) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCNCC2)c2ccccc12 |t:4| Show InChI InChI=1S/C25H22N6O2/c1-30-14-17(15-6-3-5-9-19(15)30)20-21(24(33)29-23(20)32)22-16-7-2-4-8-18(16)27-25(28-22)31-12-10-26-11-13-31/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCtheta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM33971 (AEB071 | Sotrastaurin | med.21724, Compound 190) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11| Show InChI InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCdelta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50234730 ((4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidi...) Show SMILES CC1(CCN(CC1)C(=O)c1cccc2ccccc12)N1CCC(CC1)N(c1ccccc1)c1cccnc1 Show InChI InChI=1S/C33H36N4O/c1-33(18-23-35(24-19-33)32(38)31-15-7-10-26-9-5-6-14-30(26)31)36-21-16-28(17-22-36)37(27-11-3-2-4-12-27)29-13-8-20-34-25-29/h2-15,20,25,28H,16-19,21-24H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50393219 (CHEMBL2151415) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCNCC2)c2ccccc12 |t:4| Show InChI InChI=1S/C25H22N6O2/c1-30-14-17(15-6-3-5-9-19(15)30)20-21(24(33)29-23(20)32)22-16-7-2-4-8-18(16)27-25(28-22)31-12-10-26-11-13-31/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCalpha by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50393219 (CHEMBL2151415) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCNCC2)c2ccccc12 |t:4| Show InChI InChI=1S/C25H22N6O2/c1-30-14-17(15-6-3-5-9-19(15)30)20-21(24(33)29-23(20)32)22-16-7-2-4-8-18(16)27-25(28-22)31-12-10-26-11-13-31/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCbeta-1 by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50393226 (CHEMBL2153748) Show SMILES CN1CCN(CC1)c1cc2ccccc2c(n1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:20| Show InChI InChI=1S/C26H23N5O2/c1-30-10-12-31(13-11-30)21-14-16-6-2-3-7-17(16)24(28-21)23-22(25(32)29-26(23)33)19-15-27-20-9-5-4-8-18(19)20/h2-9,14-15,27H,10-13H2,1H3,(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCalpha by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143740 ((4-(4-(benzyl(phenyl)amino)piperidin-1-yl)-4-methy...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H41N3O/c1-26-11-10-12-27(2)31(26)32(37)34-23-19-33(3,20-24-34)35-21-17-30(18-22-35)36(29-15-8-5-9-16-29)25-28-13-6-4-7-14-28/h4-16,30H,17-25H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50234727 (2,4-dimethyl-1-oxy-pyridin-3-yl)-{4'-methyl-4-[(2-...) Show SMILES Cc1nc(CN(C2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cc[n+]([O-])c2C)c2ccccc2)cs1 Show InChI InChI=1S/C30H39N5O2S/c1-22-10-17-35(37)23(2)28(22)29(36)32-18-13-30(4,14-19-32)33-15-11-27(12-16-33)34(26-8-6-5-7-9-26)20-25-21-38-24(3)31-25/h5-10,17,21,27H,11-16,18-20H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM50393214 (CHEMBL2151411) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11| Show InChI InChI=1S/C26H24N6O2/c1-15-6-5-8-16-18(14-27-22(15)16)20-21(25(34)30-24(20)33)23-17-7-3-4-9-19(17)28-26(29-23)32-12-10-31(2)11-13-32/h3-9,14,27H,10-13H2,1-2H3,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCeta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50393229 (CHEMBL2153751) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(Cl)ccc2n1 |t:11| Show InChI InChI=1S/C25H21ClN6O2/c1-31-8-10-32(11-9-31)25-28-19-7-6-14(26)12-16(19)22(29-25)21-20(23(33)30-24(21)34)17-13-27-18-5-3-2-4-15(17)18/h2-7,12-13,27H,8-11H2,1H3,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCalpha by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM33970 (maleimide derivative, 12) Show SMILES CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1 |t:11| Show InChI InChI=1S/C27H24N4O2/c1-30-10-12-31(13-11-30)18-14-17-6-2-3-7-19(17)21(15-18)24-25(27(33)29-26(24)32)22-16-28-23-9-5-4-8-20(22)23/h2-9,14-16,28H,10-13H2,1H3,(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCbeta-1 by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50234729 ((2,4-dimethyl-1-oxy-pyridin-3-yl)-[4'-methyl-4-(ph...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccn1 Show InChI InChI=1S/C30H37N5O2/c1-23-12-20-34(37)24(2)28(23)29(36)32-21-15-30(3,16-22-32)33-18-13-26(14-19-33)35(25-9-5-4-6-10-25)27-11-7-8-17-31-27/h4-12,17,20,26H,13-16,18-19,21-22H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50393226 (CHEMBL2153748) Show SMILES CN1CCN(CC1)c1cc2ccccc2c(n1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:20| Show InChI InChI=1S/C26H23N5O2/c1-30-10-12-31(13-11-30)21-14-16-6-2-3-7-17(16)24(28-21)23-22(25(32)29-26(23)33)19-15-27-20-9-5-4-8-18(19)20/h2-9,14-15,27H,10-13H2,1H3,(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCdelta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM50393228 (CHEMBL2153750) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(F)ccc2n1 |t:11| Show InChI InChI=1S/C25H21FN6O2/c1-31-8-10-32(11-9-31)25-28-19-7-6-14(26)12-16(19)22(29-25)21-20(23(33)30-24(21)34)17-13-27-18-5-3-2-4-15(17)18/h2-7,12-13,27H,8-11H2,1H3,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCeta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143743 (CHEMBL61536 | [4-(Benzyl-phenyl-amino)-4'-methyl-[...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H40N4O2/c1-25-14-21-36(38)26(2)30(25)31(37)33-22-17-32(3,18-23-33)34-19-15-29(16-20-34)35(28-12-8-5-9-13-28)24-27-10-6-4-7-11-27/h4-14,21,29H,15-20,22-24H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in CHO cells				Bioorg Med Chem Lett 18: 2000-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.108 BindingDB Entry DOI: 10.7270/Q2NC6229
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506051 (CHEMBL4587988) Show SMILES Cc1c(nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(N2CC(C2)C(N)=O)c1Cl)C(F)(F)F |(37.14,-25.15,;36.82,-26.66,;37.85,-27.8,;37.08,-29.13,;35.57,-28.81,;34.43,-29.85,;34.6,-31.38,;33.19,-32.01,;32.16,-30.87,;30.63,-31.04,;32.92,-29.54,;35.4,-27.28,;34.07,-26.51,;34.08,-24.97,;35.42,-24.21,;32.75,-24.2,;31.41,-24.97,;31.42,-26.52,;30.09,-27.29,;28.6,-26.9,;28.21,-28.39,;29.7,-28.78,;26.88,-29.16,;25.54,-28.4,;26.88,-30.7,;32.75,-27.28,;31.41,-28.04,;39.39,-27.8,;40.16,-29.13,;40.15,-26.46,;40.93,-27.8,)| Show InChI InChI=1S/C19H14Cl3F3N4O2/c1-8-16(19(23,24)25)27-18(12-4-5-13(21)31-12)29(8)15-10(20)2-3-11(14(15)22)28-6-9(7-28)17(26)30/h2-5,9H,6-7H2,1H3,(H2,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Displacement of RIP140 cofactor peptide from human His6-tagged RORgammat LBD (264 to 518 residues) by TR-FRET assay				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50393226 (CHEMBL2153748) Show SMILES CN1CCN(CC1)c1cc2ccccc2c(n1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:20| Show InChI InChI=1S/C26H23N5O2/c1-30-10-12-31(13-11-30)21-14-16-6-2-3-7-17(16)24(28-21)23-22(25(32)29-26(23)33)19-15-27-20-9-5-4-8-18(19)20/h2-9,14-15,27H,10-13H2,1H3,(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCbeta-1 by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM33971 (AEB071 | Sotrastaurin | med.21724, Compound 190) Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11| Show InChI InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCbeta-1 by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair

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