Compile Data Set for Download or QSAR

Found 299 hits with Last Name = 'boggu' and Initial = 'p'   

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 regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576618 (CHEMBL4868117) Show SMILES Cc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CC3)n(-c3ccccc3)c(=O)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576611 (CHEMBL4852166) Show SMILES Fc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CC3)n(-c3ccccc3)c(=O)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576619 (CHEMBL4871071) Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(N)c2c(=O)n1-c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576614 (CHEMBL4853740) Show SMILES CC(C)[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576608 (CHEMBL4845946) Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576613 (CHEMBL4876309) Show SMILES CCC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576615 (CHEMBL4862467) Show SMILES Clc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CC3)n(-c3ccccc3)c(=O)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127189 BindingDB Entry DOI: 10.7270/Q23F4T7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576607 (CHEMBL4874404) Show SMILES Fc1ccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CC3)n(-c3ccccc3)c(=O)c2c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576621 (CHEMBL4858100) Show SMILES Nc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CC3)n(-c3ccccc3)c(=O)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403068 (CHEMBL2216870 | IDELALISIB | US9745321, CAL-101) Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576609 (CHEMBL4874496) Show SMILES CCC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576620 (CHEMBL4852863) Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(N)c2c(=O)n1-c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576616 (CHEMBL4876188) Show SMILES Clc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CCC3)n(-c3ccccc3)c(=O)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576610 (CHEMBL4847494) Show SMILES CC(C)[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia 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					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576612 (CHEMBL4870032) Show SMILES Fc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CCC3)n(-c3ccccc3)c(=O)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50543787 (CHEMBL4645582) Show SMILES C[C@@H](Oc1cncc(c1)-c1cnn(c1)C1CCN(CC(N)=O)CC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C23H24Cl2FN5O2/c1-14(22-19(24)2-3-20(26)23(22)25)33-18-8-15(9-28-11-18)16-10-29-31(12-16)17-4-6-30(7-5-17)13-21(27)32/h2-3,8-12,14,17H,4-7,13H2,1H3,(H2,27,32)/t14-/m1/s1	PDB MMDB 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
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127189 BindingDB Entry DOI: 10.7270/Q23F4T7M
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50576617 (CHEMBL4854194) Show SMILES CCC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(c2c(=O)n1-c1ccccc1)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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					Assay Description Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem		n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of choline acetyltransferase (CAT) enzyme				Citation and Details
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50543784 (CHEMBL4649193) Show SMILES CC(C)N1CCC(CC1)n1cc(cn1)-c1cncc(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r| Show InChI InChI=1S/C24H27Cl2FN4O/c1-15(2)30-8-6-19(7-9-30)31-14-18(12-29-31)17-10-20(13-28-11-17)32-16(3)23-21(25)4-5-22(27)24(23)26/h4-5,10-16,19H,6-9H2,1-3H3/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127189 BindingDB Entry DOI: 10.7270/Q23F4T7M
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405744 (CHEMBL5274088) Show SMILES COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC Show InChI InChI=1S/C38H66N4O2/c1-41(31-21-11-7-17-27-39-33-35-23-13-15-25-37(35)43-3)29-19-9-5-6-10-20-30-42(2)32-22-12-8-18-28-40-34-36-24-14-16-26-38(36)44-4/h13-16,23-26,39-40H,5-12,17-22,27-34H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against thymidylate synthase isolated from L1210 leukemia cells				Citation and Details
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50543785 (CHEMBL4646769) Show SMILES C[C@@H](Oc1cncc(c1)-c1cnn(c1)C1CCN(CC2CC2)CC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C25H27Cl2FN4O/c1-16(24-22(26)4-5-23(28)25(24)27)33-21-10-18(11-29-13-21)19-12-30-32(15-19)20-6-8-31(9-7-20)14-17-2-3-17/h4-5,10-13,15-17,20H,2-3,6-9,14H2,1H3/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127189 BindingDB Entry DOI: 10.7270/Q23F4T7M
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50543788 (CHEMBL4638327) Show SMILES C[C@@H](Oc1cncc(c1)-c1cnn(c1)C1CCN(CC1)C(C)=O)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C23H23Cl2FN4O2/c1-14(22-20(24)3-4-21(26)23(22)25)32-19-9-16(10-27-12-19)17-11-28-30(13-17)18-5-7-29(8-6-18)15(2)31/h3-4,9-14,18H,5-8H2,1-2H3/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127189 BindingDB Entry DOI: 10.7270/Q23F4T7M
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50469052 (CHEMBL4286383) Show SMILES C[C@@H](Oc1cncc(c1)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H21Cl2FN4O/c1-13(20-18(22)2-3-19(24)21(20)23)29-17-8-14(9-26-11-17)15-10-27-28(12-15)16-4-6-25-7-5-16/h2-3,8-13,16,25H,4-7H2,1H3/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127189 BindingDB Entry DOI: 10.7270/Q23F4T7M
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405742 (CHEMBL5271520) Show SMILES COc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(OC)cc2)cc1 Show InChI InChI=1S/C36H62N4O2/c1-41-35-21-17-33(18-22-35)31-39-29-15-9-7-13-27-37-25-11-5-3-4-6-12-26-38-28-14-8-10-16-30-40-32-34-19-23-36(42-2)24-20-34/h17-24,37-40H,3-16,25-32H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) obtained from human WIL2 cells				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405753 (CHEMBL5274634) Show SMILES Clc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C34H56Cl2N4/c35-33-19-15-31(16-20-33)29-39-27-13-7-5-11-25-37-23-9-3-1-2-4-10-24-38-26-12-6-8-14-28-40-30-32-17-21-34(36)22-18-32/h15-22,37-40H,1-14,23-30H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against acetylcholinetransferase (AChE) enzyme				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405753 (CHEMBL5274634) Show SMILES Clc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C34H56Cl2N4/c35-33-19-15-31(16-20-33)29-39-27-13-7-5-11-25-37-23-9-3-1-2-4-10-24-38-26-12-6-8-14-28-40-30-32-17-21-34(36)22-18-32/h15-22,37-40H,1-14,23-30H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against acetylcholinetransferase (AChE) enzyme				Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50576619 (CHEMBL4871071) Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(N)c2c(=O)n1-c1ccccc1 |r| 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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110gamma expressed in baculovirus expression system measured after 60 mins in presence of ATP...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50576618 (CHEMBL4868117) Show SMILES Cc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CC3)n(-c3ccccc3)c(=O)c12 |r| 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	8.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110gamma expressed in baculovirus expression system measured after 60 mins in presence of ATP...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405681 (CHEMBL5271793) Show SMILES C[n+]1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C14H14N/c1-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/q+1/b8-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against thymidylate synthase isolated from L1210 leukemia cells				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of choline acetyltransferase (CAT) enzyme				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405679 (CHEMBL5266236) Show SMILES CN1CCC(CC1)\C=C\c1cccc2ccccc12 Show InChI InChI=1S/C18H21N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-10,15H,11-14H2,1H3/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against thymidylate synthase isolated from L1210 leukemia cells				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405680 (CHEMBL5268616) Show SMILES C[n+]1ccccc1\C=C\c1cccc2ccccc12 Show InChI InChI=1S/C18H16N/c1-19-14-5-4-10-17(19)13-12-16-9-6-8-15-7-2-3-11-18(15)16/h2-14H,1H3/q+1/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against thymidylate synthase isolated from L1210 leukemia cells				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405750 (CHEMBL5291256) Show SMILES C(CCCCNCCCCCCNCc1ccco1)CCCNCCCCCCNCc1ccco1 Show InChI InChI=1S/C30H54N4O2/c1(3-9-19-31-21-11-5-7-13-23-33-27-29-17-15-25-35-29)2-4-10-20-32-22-12-6-8-14-24-34-28-30-18-16-26-36-30/h15-18,25-26,31-34H,1-14,19-24,27-28H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against acetylcholinetransferase (AChE) enzyme				Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50576615 (CHEMBL4862467) Show SMILES Clc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CC3)n(-c3ccccc3)c(=O)c12 |r| 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	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length His-tagged p110gamma expressed in baculovirus expression system measured after 60 mins in presence of ATP...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116312 BindingDB Entry DOI: 10.7270/Q2VX0MBM
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against acetylcholinetransferase (AChE) enzyme				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of choline acetyltransferase (CAT) enzyme				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405746 (CHEMBL5286013) Show SMILES [O-][N+](=O)c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C34H56N6O4/c41-39(42)33-19-15-31(16-20-33)29-37-27-13-7-5-11-25-35-23-9-3-1-2-4-10-24-36-26-12-6-8-14-28-38-30-32-17-21-34(22-18-32)40(43)44/h15-22,35-38H,1-14,23-30H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) obtained from human WIL2 cells				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405748 (CHEMBL5279952) Show SMILES COc1ccccc1CNCCCCCCCNCCCCCCCCNCCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C38H66N4O2/c1-43-37-25-15-13-23-35(37)33-41-31-21-11-5-9-19-29-39-27-17-7-3-4-8-18-28-40-30-20-10-6-12-22-32-42-34-36-24-14-16-26-38(36)44-2/h13-16,23-26,39-42H,3-12,17-22,27-34H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against acetylcholinetransferase (AChE) enzyme				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405751 (CHEMBL5281142) Show SMILES Clc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1Cl Show InChI InChI=1S/C34H56Cl2N4/c35-33-21-11-9-19-31(33)29-39-27-17-7-5-15-25-37-23-13-3-1-2-4-14-24-38-26-16-6-8-18-28-40-30-32-20-10-12-22-34(32)36/h9-12,19-22,37-40H,1-8,13-18,23-30H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of choline acetyltransferase (CAT) enzyme				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405757 (CHEMBL5271343) Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C41H72N4O2/c1-46-40-28-18-16-26-38(40)36-44-34-24-14-12-22-32-42-30-20-10-8-6-4-3-5-7-9-11-21-31-43-33-23-13-15-25-35-45-37-39-27-17-19-29-41(39)47-2/h16-19,26-29,42-45H,3-15,20-25,30-37H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against acetylcholinetransferase (AChE) enzyme				Citation and Details
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50543791 (CHEMBL4648693) Show SMILES C[C@@H](Oc1ccc2ncc(nc2c1)-c1cnn(CCOC(C)=O)c1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C23H19Cl2FN4O3/c1-13(22-17(24)4-5-18(26)23(22)25)33-16-3-6-19-20(9-16)29-21(11-27-19)15-10-28-30(12-15)7-8-32-14(2)31/h3-6,9-13H,7-8H2,1-2H3/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127189 BindingDB Entry DOI: 10.7270/Q23F4T7M
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50543793 (CHEMBL4638210) Show SMILES Cl.C[C@@H](Oc1cc(cnc1F)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H20Cl2F2N4O.ClH/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15;/h2-3,8-12,15,26H,4-7H2,1H3;1H/t12-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127189 BindingDB Entry DOI: 10.7270/Q23F4T7M
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405747 (CHEMBL5267739) Show SMILES Cc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(C)cc2)cc1 Show InChI InChI=1S/C36H62N4/c1-33-17-21-35(22-18-33)31-39-29-15-9-7-13-27-37-25-11-5-3-4-6-12-26-38-28-14-8-10-16-30-40-32-36-23-19-34(2)20-24-36/h17-24,37-40H,3-16,25-32H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against thymidylate synthase isolated from L1210 leukemia cells				Citation and Details
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50173515 (CHEMBL3808557) Show SMILES O=C(NCCCc1ccccc1)N[C@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C20H24N2O/c23-20(21-15-7-10-16-8-2-1-3-9-16)22-19-14-6-12-17-11-4-5-13-18(17)19/h1-5,8-9,11,13,19H,6-7,10,12,14-15H2,(H2,21,22,23)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase (unknown origin) using 14,15-EET as substrate incubated for 20 mins by LC-MS/MS analysis				Eur J Med Chem 117: 113-24 (2016) Article DOI: 10.1016/j.ejmech.2016.04.015 BindingDB Entry DOI: 10.7270/Q2S75J7T
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405745 (CHEMBL5285879) Show SMILES COc1ccccc1CNCCCCCNCCCCCCCCNCCCCCNCc1ccccc1OC Show InChI InChI=1S/C34H58N4O2/c1-39-33-21-11-9-19-31(33)29-37-27-17-7-15-25-35-23-13-5-3-4-6-14-24-36-26-16-8-18-28-38-30-32-20-10-12-22-34(32)40-2/h9-12,19-22,35-38H,3-8,13-18,23-30H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against thymidylate synthase isolated from L1210 leukemia cells				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405739 (CHEMBL5273396) Show SMILES Cc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1C Show InChI InChI=1S/C36H62N4/c1-33-21-11-13-23-35(33)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-36-24-14-12-22-34(36)2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against thymidylate synthase isolated from L1210 leukemia cells				Citation and Details
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50173514 (CHEMBL3808508) Show SMILES O=C(NCCCc1ccccc1)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C20H24N2O/c23-20(21-15-7-10-16-8-2-1-3-9-16)22-19-14-6-12-17-11-4-5-13-18(17)19/h1-5,8-9,11,13,19H,6-7,10,12,14-15H2,(H2,21,22,23)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase (unknown origin) using 14,15-EET as substrate incubated for 20 mins by LC-MS/MS analysis				Eur J Med Chem 117: 113-24 (2016) Article DOI: 10.1016/j.ejmech.2016.04.015 BindingDB Entry DOI: 10.7270/Q2S75J7T
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50405740 (CHEMBL5280669) Show SMILES COc1ccccc1CN(C)CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(C)Cc1ccccc1OC Show InChI InChI=1S/C40H70N4O2/c1-41(31-21-11-13-23-33-43(3)35-37-25-15-17-27-39(37)45-5)29-19-9-7-8-10-20-30-42(2)32-22-12-14-24-34-44(4)36-38-26-16-18-28-40(38)46-6/h15-18,25-28H,7-14,19-24,29-36H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) obtained from human WIL2 cells				Citation and Details
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50543792 (CHEMBL4636429) Show SMILES C[C@@H](Oc1ccc2ncc(nc2c1)-c1cnn(CCO)c1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H17Cl2FN4O2/c1-12(20-15(22)3-4-16(24)21(20)23)30-14-2-5-17-18(8-14)27-19(10-25-17)13-9-26-28(11-13)6-7-29/h2-5,8-12,29H,6-7H2,1H3/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127189 BindingDB Entry DOI: 10.7270/Q23F4T7M
					More data for this Ligand-Target Pair

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