Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'chamberlain' and Initial = 'pp'   

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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of human full length recombinant GST-tagged TTK expressed in baculovirus by LanthaScreen Eu kinase binding assay				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of human GST-tagged CLK2 expressed in baculovirus by Z'-LYTE assay				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of CLK2 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of TTK phosphorylation at T686 residue in human CAL51 cells after 1 hr by Western blot analysis				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM65497 (CC-220 (Compound 6) | US9694015, 6.4S) Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)[C@H]1CCC(=O)NC1=O Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.0	n/a
Celgene Corporation					Assay Description The 6XHis-tagged full length human CRBN bound to full length human DDB1 used in the assay was purified as described elsewhere with the exception that...				J Med Chem 61: 535-542 (2017) Article DOI: 10.1021/acs.jmedchem.6b01921 BindingDB Entry DOI: 10.7270/Q2PC30HG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 3 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of human full length recombinant GST-tagged DYRK3 expressed in baculovirus by Z'-LYTE assay				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged DYRK1A expressed in baculovirus by Z'-LYTE assay				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
					More data for this Ligand-Target Pair
Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PHKG1 expressed in baculovirus by Z'-LYTE assay				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length human recombinant GST-tagged DYRK1B expressed in baculovirus by Z'-LYTE assay				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of human GST-tagged CLK1 expressed in Escherichia coli by Z'-LYTE assay				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	549	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of CLK2 in human CAL51 cells assessed as reduction in phosphorylation of SRp75 after 1 hr by Western blot analysis				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of CAMKK2 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
					More data for this Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of PIP4K2C in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
					More data for this Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM65456 (19171-19-8 | 4-amino-2-(2,6-dioxopiperidin-3-yl)is...) Show SMILES Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 Show InChI InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.0	n/a
Celgene Corporation					Assay Description The 6XHis-tagged full length human CRBN bound to full length human DDB1 used in the assay was purified as described elsewhere with the exception that...				J Med Chem 61: 535-542 (2017) Article DOI: 10.1021/acs.jmedchem.6b01921 BindingDB Entry DOI: 10.7270/Q2PC30HG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of JNK1/JNK2/JNK3 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
					More data for this Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM65454 (191732-72-6 | CC-5013 | Lenalidomide | Revimid | R...) Show SMILES Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O Show InChI InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.0	n/a
Celgene Corporation					Assay Description The 6XHis-tagged full length human CRBN bound to full length human DDB1 used in the assay was purified as described elsewhere with the exception that...				J Med Chem 61: 535-542 (2017) Article DOI: 10.1021/acs.jmedchem.6b01921 BindingDB Entry DOI: 10.7270/Q2PC30HG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
					More data for this Ligand-Target Pair