Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'dimitrova' and Initial = 'yn'   

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
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50597817 (CHEMBL5192406) Show SMILES NC(=O)c1ccc2-c3nc(sc3CCOc2c1)-c1ncnn1-c1ccc(F)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50597812 (CHEMBL5192215) Show SMILES FC1CC1C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1-c1ccccc1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50597817 (CHEMBL5192406) Show SMILES NC(=O)c1ccc2-c3nc(sc3CCOc2c1)-c1ncnn1-c1ccc(F)cc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50597813 (CHEMBL5183804) Show SMILES CC(C)[C@@H]1CNC(=O)c2cc(nn12)-c1ccnc(NC(=O)C2CC2)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB 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.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50597807 (CHEMBL5190688) Show SMILES O=C(Nc1cc(ccn1)-c1ccn2ccnc2c1)C1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM548269 ((R)-2-((R)-3-methylmorpholino)-6-(trifluoromethyl)...) Show SMILES C[C@@H]1COCCN1c1cc2C(=O)N[C@H](Cn2n1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM548239 ((R)-7-(tert-butyl)-2-((R)-3-methylmorpholino)-6,7-...) Show SMILES C[C@@H]1COCCN1c1cc2C(=O)NC[C@H](n2n1)C(C)(C)C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50597814 (CHEMBL5200373) Show SMILES CC(C)[C@@H]1CNC(=O)c2cc(nn12)-c1cc(NC(=O)C2CC2)ncc1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50597809 (CHEMBL5181274) Show SMILES O=C(Nc1cc(ccn1)-n1cnc2ccccc12)C1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM548235 ((R)-7-isopropyl-2-((R)-3-methylmorpholino)-6,7-dih...) Show SMILES CC(C)[C@@H]1CNC(=O)c2cc(nn12)N1CCOC[C@H]1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM548243 ((5aS,8aR)-2-((R)-3-methylmorpholino)-5,5a,6,7,8,8a...) Show SMILES C[C@@H]1COCCN1c1cc2C(=O)N[C@H]3CCC[C@H]3n2n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM548265 ((R)-7'-cyclopropyl-2'-((R)-3-methylmorpholino)-7'H...) Show SMILES C[C@@H]1COCCN1c1cc2C(=O)NC3(CC3)[C@@H](C3CC3)n2n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM548251 ((S)-2-((R)-3-methylmorpholino)-7-(trifluoromethyl)...) Show SMILES C[C@@H]1COCCN1c1cc2C(=O)NC[C@H](n2n1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50597811 (CHEMBL5195258) Show SMILES C[C@@H]1CNC(=O)c2cc(nn12)-c1ccnc(NC(=O)C2CC2)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50597818 (CHEMBL5197817) Show SMILES CC1COc2cc(ccc2-c2nc(sc12)-c1ncnn1-c1ccc(F)cc1F)C(N)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM548253 ((6S,7R)-7-cyclopropyl-6-methyl-2-((R)-3-methylmorp...) Show SMILES C[C@@H]1COCCN1c1cc2C(=O)N[C@@H](C)[C@@H](C3CC3)n2n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM548247 ((S)-7-(2-hydroxypropan-2-yl)-2-((R)-3-methylmorpho...) Show SMILES C[C@@H]1COCCN1c1cc2C(=O)NC[C@H](n2n1)C(C)(C)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM548237 ((R)-7-cyclobutyl-2-((R)-3-methylmorpholino)-6,7-di...) Show SMILES C[C@@H]1COCCN1c1cc2C(=O)NC[C@@H](C3CCC3)n2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50597816 (CHEMBL5202968) Show SMILES C[C@@H]1COCCN1c1cc2C(=O)NC[C@@H](C3CC3)n2n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50597808 (CHEMBL5190274) Show SMILES NC(=O)c1ccccc1Nc1ccnc(NC(=O)C2CC2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50597818 (CHEMBL5197817) Show SMILES CC1COc2cc(ccc2-c2nc(sc12)-c1ncnn1-c1ccc(F)cc1F)C(N)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM548241 ((R)-7-cyclopentyl-2-((R)-3-methylmorpholino)-6,7-d...) Show SMILES C[C@@H]1COCCN1c1cc2C(=O)NC[C@@H](C3CCCC3)n2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50597810 (CHEMBL5204287) Show SMILES Cn1ccc(cc1=O)-c1ccnc(NC(=O)C2CC2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM548271 ((6S,7R)-6,7-dicyclopropyl-2-((R)-3-methylmorpholin...) Show SMILES C[C@@H]1COCCN1c1cc2C(=O)N[C@@H](C3CC3)[C@@H](C3CC3)n2n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50597815 (CHEMBL5182171) Show SMILES CC(C)[C@@H]1CNC(=O)c2cc(nn12)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM548273 ((R)-7-cyclopropyl-6,6-dimethyl-2-((R)-3-methylmorp...) Show SMILES C[C@@H]1COCCN1c1cc2C(=O)NC(C)(C)[C@@H](C3CC3)n2n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01180 BindingDB Entry DOI: 10.7270/Q2ZC86XQ
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50552392 (CHEMBL4743779) Show SMILES Cc1ccc(C)c(Cn2c(nc3ccc(cc23)-c2cnn(C)c2)C(O)c2ccncc2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-17A (Homo sapiens (Human))	BDBM50581143 (CHEMBL5077648) Show SMILES CN(C)C(=O)CC1(CC(=O)NCCc2ccc(NC(=O)[C@H](Cc3ccccc3F)NC(=O)c3ccnn3C)cc2)CCCC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM56191 (MLS000063267 | SMR000074865 | [1-(2,5-dimethylbenz...) Show SMILES Cc1ccc(C)c(Cn2c(CO)nc3ccccc23)c1 Show InChI InChI=1S/C17H18N2O/c1-12-7-8-13(2)14(9-12)10-19-16-6-4-3-5-15(16)18-17(19)11-20/h3-9,20H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)