Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'dale' and Initial = 'b'   

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
Serine/threonine-protein kinase WNK1 [166-489] (Homo sapiens (Human))	BDBM203827 (N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...) Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.3	25
Novartis Institutes					Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...				Nat Chem Biol 12: 896-898 (2016) Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase WNK1 [1-491] (Homo sapiens (Human))	BDBM203827 (N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...) Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.3	25
Novartis Institutes					Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...				Nat Chem Biol 12: 896-898 (2016) Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase WNK1 [1-434] (Homo sapiens (Human))	BDBM203827 (N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...) Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.3	25
Novartis Institutes					Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...				Nat Chem Biol 12: 896-898 (2016) Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase WNK1 [1-444] (Homo sapiens (Human))	BDBM203827 (N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...) Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.3	25
Novartis Institutes					Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...				Nat Chem Biol 12: 896-898 (2016) Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase WNK1 [1-491] (Homo sapiens (Human))	BDBM203827 (N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...) Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	7.3	4
Novartis Institutes					Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...				Nat Chem Biol 12: 896-898 (2016) Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase WNK1 [1-491] (Homo sapiens (Human))	BDBM203826 ((R)-1-(1-(2-(4-methoxyphenyl)acetyl)pyrrolidin-3-y...) Show SMILES COc1ccc(CC(=O)N2CCC(C2)n2cncc2C(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O3/c1-32-22-9-7-20(8-10-22)15-24(30)28-14-12-21(17-28)29-18-26-16-23(29)25(31)27-13-11-19-5-3-2-4-6-19/h2-10,16,18,21H,11-15,17H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	856	n/a	n/a	n/a	n/a	7.3	25
Novartis Institutes					Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...				Nat Chem Biol 12: 896-898 (2016) Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50585741 (CHEMBL5078791) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N2CCN(CC[C@H](NC(=O)C3(N)CCN(CC3)c3ncnc4[nH]ccc34)c3ccc(Cl)cc3)CC2)C(C)(C)C)OCc2ccccc2)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DNA-tagged AKT2 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02165 BindingDB Entry DOI: 10.7270/Q2MW2N17
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50585742 (CHEMBL5089002) Show SMILES CN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOCCC(=O)N4CCN(CC[C@H](NC(=O)C5(N)CCN(CC5)c5ncnc6[nH]ccc56)c5ccc(Cl)cc5)CC4)c3C2=O)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DNA-tagged AKT2 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02165 BindingDB Entry DOI: 10.7270/Q2MW2N17
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50585739 (CHEMBL5088272) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N2CCN(CC[C@H](NC(=O)C3(N)CCN(CC3)c3ncnc4[nH]ccc34)c3ccc(Cl)cc3)CC2)C(C)(C)C)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DNA-tagged AKT3 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02165 BindingDB Entry DOI: 10.7270/Q2MW2N17
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50585740 (CHEMBL5069422) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCN(CC1)C(=O)CCOCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c1ccc(Cl)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DNA-tagged AKT3 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02165 BindingDB Entry DOI: 10.7270/Q2MW2N17
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50585741 (CHEMBL5078791) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N2CCN(CC[C@H](NC(=O)C3(N)CCN(CC3)c3ncnc4[nH]ccc34)c3ccc(Cl)cc3)CC2)C(C)(C)C)OCc2ccccc2)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DNA-tagged AKT3 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02165 BindingDB Entry DOI: 10.7270/Q2MW2N17
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50585740 (CHEMBL5069422) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCN(CC1)C(=O)CCOCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c1ccc(Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DNA-tagged AKT2 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02165 BindingDB Entry DOI: 10.7270/Q2MW2N17
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50585739 (CHEMBL5088272) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N2CCN(CC[C@H](NC(=O)C3(N)CCN(CC3)c3ncnc4[nH]ccc34)c3ccc(Cl)cc3)CC2)C(C)(C)C)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DNA-tagged AKT2 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02165 BindingDB Entry DOI: 10.7270/Q2MW2N17
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50585742 (CHEMBL5089002) Show SMILES CN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOCCC(=O)N4CCN(CC[C@H](NC(=O)C5(N)CCN(CC5)c5ncnc6[nH]ccc56)c5ccc(Cl)cc5)CC4)c3C2=O)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DNA-tagged AKT1 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02165 BindingDB Entry DOI: 10.7270/Q2MW2N17
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50585742 (CHEMBL5089002) Show SMILES CN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOCCC(=O)N4CCN(CC[C@H](NC(=O)C5(N)CCN(CC5)c5ncnc6[nH]ccc56)c5ccc(Cl)cc5)CC4)c3C2=O)C1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DNA-tagged AKT3 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02165 BindingDB Entry DOI: 10.7270/Q2MW2N17
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50585740 (CHEMBL5069422) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCN(CC1)C(=O)CCOCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c1ccc(Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DNA-tagged AKT1 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02165 BindingDB Entry DOI: 10.7270/Q2MW2N17
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50585739 (CHEMBL5088272) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N2CCN(CC[C@H](NC(=O)C3(N)CCN(CC3)c3ncnc4[nH]ccc34)c3ccc(Cl)cc3)CC2)C(C)(C)C)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DNA-tagged AKT1 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02165 BindingDB Entry DOI: 10.7270/Q2MW2N17
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50585741 (CHEMBL5078791) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N2CCN(CC[C@H](NC(=O)C3(N)CCN(CC3)c3ncnc4[nH]ccc34)c3ccc(Cl)cc3)CC2)C(C)(C)C)OCc2ccccc2)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DNA-tagged AKT1 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02165 BindingDB Entry DOI: 10.7270/Q2MW2N17
					More data for this Ligand-Target Pair