Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'min' and Initial = 'sm'   

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
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM17636 (2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...) Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	140	-39.8	n/a	n/a	n/a	n/a	n/a	7.0	30
The University of Birmingham					Assay Description A fluorescence assay was used to determine the kinetic constants for the oxidation of 3alpha-androstanediol. The fluorescence emission of NADPH at 45...				Cancer Res 64: 1802-10 (2004) Article DOI: 10.1158/0008-5472.can-03-2847 BindingDB Entry DOI: 10.7270/Q2JS9NPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	270	-38.1	n/a	n/a	n/a	n/a	n/a	7.0	30
The University of Birmingham					Assay Description A fluorescence assay was used to determine the kinetic constants for the oxidation of 3alpha-androstanediol. The fluorescence emission of NADPH at 45...				Cancer Res 64: 1802-10 (2004) Article DOI: 10.1158/0008-5472.can-03-2847 BindingDB Entry DOI: 10.7270/Q2JS9NPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.10E+3	-33.0	n/a	n/a	n/a	n/a	n/a	7.0	30
The University of Birmingham					Assay Description Enzyme activity was measured in the reductive direction against varying concentrations of androsterone. Initial velocities were measured by observing...				Cancer Res 64: 1802-10 (2004) Article DOI: 10.1158/0008-5472.can-03-2847 BindingDB Entry DOI: 10.7270/Q2JS9NPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM17636 (2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...) Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.10E+3	-32.0	n/a	n/a	n/a	n/a	n/a	7.0	30
The University of Birmingham					Assay Description Enzyme activity was measured in the reductive direction against varying concentrations of androsterone. Initial velocities were measured by observing...				Cancer Res 64: 1802-10 (2004) Article DOI: 10.1158/0008-5472.can-03-2847 BindingDB Entry DOI: 10.7270/Q2JS9NPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
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
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
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
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
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
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
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
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
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
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
Serine/threonine-protein kinase TAO3 (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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	45	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)	BDBM50590952 (CHEMBL5190153) Show SMILES CC(C)C(O)C#Cc1ccc2[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	46	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
Serine/threonine-protein kinase PAK 6 (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 GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	60	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)	BDBM50590930 (CHEMBL5202422) Show SMILES CC(C)(O)C#Cc1ccc2[nH]c3CCCCc4cnc(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	61	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	74	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	74	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)	BDBM50590945 (CHEMBL5190724) Show SMILES Nc1ncc2CCCCc3[nH]c4ccc(cc4c3-c2n1)C#CC1CC1 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	75	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)	BDBM50590938 (CHEMBL5192827) Show SMILES Cn1cncc1C#Cc1ccc2[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	77	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
Serine/threonine-protein kinase TAO2 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	89	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
Testis-specific serine/threonine-protein kinase 3 (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)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	91	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
Serine/threonine-protein kinase PAK 5 (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	96	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
Serine/threonine-protein kinase PAK 4 (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	110	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)	BDBM50590954 (CHEMBL5187698) Show SMILES CN(C)CC#Cc1ccc2[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	123	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)	BDBM50590940 (CHEMBL5184182) Show SMILES CC(C)(NS(C)(=O)=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	140	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

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