Compile Data Set for Download or QSAR

Found 215 hits with Last Name = 'howell' and Initial = 's'   

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
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590927 (APILIMOD | Apilimod | STA 5326 | STA-5326 | Sta-53...) Show SMILES Cc1cccc(\C=N\Nc2cc(nc(OCCc3ccccn3)n2)N2CCOCC2)c1 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	0.309	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590927 (APILIMOD | Apilimod | STA 5326 | STA-5326 | Sta-53...) Show SMILES Cc1cccc(\C=N\Nc2cc(nc(OCCc3ccccn3)n2)N2CCOCC2)c1 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	0.312	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590928 (CHEMBL2178735) Show SMILES Nc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 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	0.820	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590929 (CHEMBL4303292 | US20240016810, Compound TABLE 16.2) Show SMILES Cc1cccc(\C=N\Nc2cc(N3CCOCC3)n3nc(cc3n2)-c2ccncc2)c1 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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590929 (CHEMBL4303292 | US20240016810, Compound TABLE 16.2) Show SMILES Cc1cccc(\C=N\Nc2cc(N3CCOCC3)n3nc(cc3n2)-c2ccncc2)c1 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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590943 (CHEMBL5189479) Show SMILES CCC(O)(CC)c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590942 (CHEMBL5193848) Show SMILES CCC(C)(O)c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50429615 (CHEMBL2334586) Show SMILES CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 Show InChI InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50429615 (CHEMBL2334586) Show SMILES CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 Show InChI InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590927 (APILIMOD | Apilimod | STA 5326 | STA-5326 | Sta-53...) Show SMILES Cc1cccc(\C=N\Nc2cc(nc(OCCc3ccccn3)n2)N2CCOCC2)c1 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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590929 (CHEMBL4303292 | US20240016810, Compound TABLE 16.2) Show SMILES Cc1cccc(\C=N\Nc2cc(N3CCOCC3)n3nc(cc3n2)-c2ccncc2)c1 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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590939 (CHEMBL5174830) Show SMILES CN(C)CC#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 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	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590939 (CHEMBL5174830) Show SMILES CN(C)CC#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 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	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590956 (CHEMBL5171359) Show SMILES CC(O)c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM601033 (1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...) Show SMILES FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00162 BindingDB Entry DOI: 10.7270/Q2KH0SDZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50614167 (CHEMBL5288335) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccc3ccccc3c1)c1ncncc21 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590931 (CHEMBL5181163) Show SMILES CC(C)(O)C#Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590941 (CHEMBL5198944) Show SMILES COC(C)(C)c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 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	6.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM601033 (1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...) Show SMILES FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00162 BindingDB Entry DOI: 10.7270/Q2KH0SDZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590939 (CHEMBL5174830) Show SMILES CN(C)CC#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 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	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM601044 (3,5-dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)p...) Show SMILES FC(F)(F)c1c(Cl)cnc(c1Cl)-n1ccnn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00162 BindingDB Entry DOI: 10.7270/Q2KH0SDZ
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590934 (CHEMBL5207387) Show SMILES Nc1ncc2CCc3[nH]c4ccc(cc4c3-c2n1)-c1ccc(F)cc1 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	8.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590935 (CHEMBL5171753) Show SMILES Nc1ncc2CCCc3[nH]c4ccc(cc4c3-c2n1)-c1ccc(F)cc1 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	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM601015 (US11634391, Compound 277 | [1-[2,4-dichloro-3-(tri...) Show SMILES OCc1cn(nn1)-c1ccc(Cl)c(c1Cl)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00162 BindingDB Entry DOI: 10.7270/Q2KH0SDZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590942 (CHEMBL5193848) Show SMILES CCC(C)(O)c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 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	9.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590935 (CHEMBL5171753) Show SMILES Nc1ncc2CCCc3[nH]c4ccc(cc4c3-c2n1)-c1ccc(F)cc1 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	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590935 (CHEMBL5171753) Show SMILES Nc1ncc2CCCc3[nH]c4ccc(cc4c3-c2n1)-c1ccc(F)cc1 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	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590943 (CHEMBL5189479) Show SMILES CCC(O)(CC)c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 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	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590943 (CHEMBL5189479) Show SMILES CCC(O)(CC)c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 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	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50429615 (CHEMBL2334586) Show SMILES CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 Show InChI InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM165363 (US8168651, Compound TABLE 16.30 | US9062043, Table...) Show SMILES OC(=O)c1ccc2c(c1)nc(NCCc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C21H16ClN3O2/c22-15-3-1-2-13(10-15)6-9-24-20-17-7-8-23-12-18(17)16-5-4-14(21(26)27)11-19(16)25-20/h1-5,7-8,10-12H,6,9H2,(H,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM601028 (1-(2,3,4-trichlorophenyl)triazole | US11634391, Co...) Show SMILES Clc1ccc(c(Cl)c1Cl)-n1ccnn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00162 BindingDB Entry DOI: 10.7270/Q2KH0SDZ
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50614173 (CHEMBL5289971) Show SMILES COc1cccc(CCNc2nc3cc(ccc3c3cnccc23)C(O)=O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM165347 (US9062043, Table 13, Compound 13 | US9062043, Tabl...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ncncc21 Show InChI InChI=1S/C18H10ClFN4O2/c19-13-6-10(2-4-14(13)20)23-17-16-12(7-21-8-22-16)11-3-1-9(18(25)26)5-15(11)24-17/h1-8H,(H,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50614175 (CHEMBL5283179) Show SMILES CCC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase TAO1 (Homo sapiens (Human))	BDBM50429615 (CHEMBL2334586) Show SMILES CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 Show InChI InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590931 (CHEMBL5181163) Show SMILES CC(C)(O)C#Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50614167 (CHEMBL5288335) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccc3ccccc3c1)c1ncncc21 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50614172 (CHEMBL5287614) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccc3ccccc3c1)c1ccncc21 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590932 (CHEMBL5190524) Show SMILES Nc1ncc2CCCc3[nH]c4ccc(cc4c3-c2n1)C#Cc1ccncc1 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	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50614168 (CHEMBL5277426) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)c1ncncc21 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590937 (CHEMBL5188159) Show SMILES Cn1cc(cn1)-c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 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	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50605708 (CHEMBL5179683) Show SMILES OC(=O)c1cn(nn1)-c1ccc(Cl)c(c1Cl)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00162 BindingDB Entry DOI: 10.7270/Q2KH0SDZ
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590928 (CHEMBL2178735) Show SMILES Nc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 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	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM165350 (US8168651, Compound TABLE 16.16 | US9062043, Table...) Show SMILES OC(=O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ccncc21 Show InChI InChI=1S/C21H17N3O2/c25-21(26)15-6-7-16-18-13-22-10-9-17(18)20(24-19(16)12-15)23-11-8-14-4-2-1-3-5-14/h1-7,9-10,12-13H,8,11H2,(H,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590936 (CHEMBL5200109) Show SMILES Cn1cc(cn1)-c1ccc2[nH]c3CCc4cnc(N)nc4-c3c2c1 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	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50614175 (CHEMBL5283179) Show SMILES CCC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase (Homo sapiens)	BDBM50590957 (CHEMBL5185288) Show SMILES Nc1ncc2CCCc3[nH]c4ccc(CCO)cc4c3-c2n1 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	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00697 BindingDB Entry DOI: 10.7270/Q2MP5771
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50614169 (CHEMBL5288569) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccccc1Cl)c1ncncc21 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM165341 (US8168651, Compound TABLE 16.7 | US9062043, Table ...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H11ClFN3O2/c20-15-8-11(2-4-16(15)21)23-18-13-5-6-22-9-14(13)12-3-1-10(19(25)26)7-17(12)24-18/h1-9H,(H,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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