Compile Data Set for Download or QSAR

Found 224 hits with Last Name = 'morales' and Initial = 'r'   

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
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50571877 (CHEMBL4878272) Show SMILES CC(C)C[C@H](N)C(=O)Nc1ccc2c(Oc3cc(NC(=O)[C@@H](CCC(N)=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4ccccc4)C(O)=O)ccc3C22OC(=O)c3ccccc23)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.51E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00235 BindingDB Entry DOI: 10.7270/Q2QJ7N22
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50571875 (CHEMBL4847486) Show SMILES CC(C)C[C@H](N)C(=O)Nc1ccc2c(Oc3cc(NC(=O)[C@H](N)CCC(N)=O)ccc3C22OC(=O)c3ccccc23)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ERAP1 (unknown origin) using L-Rho-(D)-Q as substrate				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00235 BindingDB Entry DOI: 10.7270/Q2QJ7N22
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50571878 (CHEMBL4855021) Show SMILES CC(C)C[C@H](N)C(=O)Nc1ccc2c(Oc3cc(NC(=O)[C@@H](CCC(N)=O)N[C@@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4ccccc4)C(O)=O)ccc3C22OC(=O)c3ccccc23)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.63E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ERAP1 (unknown origin) using L-Rho-Succ-AFKARKF as substrate				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00235 BindingDB Entry DOI: 10.7270/Q2QJ7N22
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50571876 (CHEMBL4875911) Show SMILES CC(C)C[C@H](N)C(=O)Nc1ccc2c(Oc3cc(NC(=O)[C@@H](CCC(N)=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4ccccc4)C(O)=O)ccc3C22OC(=O)c3ccccc23)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.12E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ERAP1 (unknown origin) using L-Rho-Succ-KARKF as substrate				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00235 BindingDB Entry DOI: 10.7270/Q2QJ7N22
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50534338 (CHEMBL4534486) Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#CC1CC1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N4O2/c27-22(24-28)20(15-17-7-3-1-4-8-17)26-19(14-13-16-11-12-16)21(23-25-26)18-9-5-2-6-10-18/h1-10,16,20,28H,11-12,15H2,(H,24,27)/t20-/m0/s1	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC8 using H2N-Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 90 mins by fluorescence based micro plate assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112338 BindingDB Entry DOI: 10.7270/Q2VD7363
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50076744 (CHEMBL3416733) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of APN (unknown origin) using Ala-AMC as substrate				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00235 BindingDB Entry DOI: 10.7270/Q2QJ7N22
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392456 (CHEMBL2151926) Show SMILES Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1Cl Show InChI InChI=1S/C16H16ClFN4O3/c17-11-7-10(1-2-12(11)18)19-15(23)8-13-20-14(9-16(24)21-13)22-3-5-25-6-4-22/h1-2,7,9H,3-6,8H2,(H,19,23)(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392457 (CHEMBL2151927) Show SMILES COc1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F Show InChI InChI=1S/C17H19FN4O4/c1-25-13-8-11(2-3-12(13)18)19-16(23)9-14-20-15(10-17(24)21-14)22-4-6-26-7-5-22/h2-3,8,10H,4-7,9H2,1H3,(H,19,23)(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392453 (CHEMBL2151923) Show SMILES Brc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C16H17BrN4O3/c17-11-2-1-3-12(8-11)18-15(22)9-13-19-14(10-16(23)20-13)21-4-6-24-7-5-21/h1-3,8,10H,4-7,9H2,(H,18,22)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50510962 (CHEMBL4454646) Show SMILES Cc1noc(C)c1-c1ccc2n(CCCCCCC(=O)NO)cc(Cc3ccc(F)cc3)c2c1 Show InChI InChI=1S/C27H30FN3O3/c1-18-27(19(2)34-30-18)21-10-13-25-24(16-21)22(15-20-8-11-23(28)12-9-20)17-31(25)14-6-4-3-5-7-26(32)29-33/h8-13,16-17,33H,3-7,14-15H2,1-2H3,(H,29,32)	PDB NCI pathway Reactome pathway 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
TBA					Assay Description Inhibition of HDAC3 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112338 BindingDB Entry DOI: 10.7270/Q2VD7363
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252396 (CHEMBL4077645) Show SMILES ONC(=O)c1ccc(CC(=O)NC2=CC(=O)c3ccccc3C2=O)cc1 |t:12| Show InChI InChI=1S/C19H14N2O5/c22-16-10-15(18(24)14-4-2-1-3-13(14)16)20-17(23)9-11-5-7-12(8-6-11)19(25)21-26/h1-8,10,26H,9H2,(H,20,23)(H,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC6 using Z-(Ac)Lys-AMC as substrate after 90 mins by fluorescence based micro plate assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112338 BindingDB Entry DOI: 10.7270/Q2VD7363
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392455 (CHEMBL2151925) Show SMILES Cc1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F Show InChI InChI=1S/C17H19FN4O3/c1-11-8-12(2-3-13(11)18)19-16(23)9-14-20-15(10-17(24)21-14)22-4-6-25-7-5-22/h2-3,8,10H,4-7,9H2,1H3,(H,19,23)(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392469 (CHEMBL2151821) Show SMILES Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1 Show InChI InChI=1S/C16H17FN4O3/c17-11-1-3-12(4-2-11)18-15(22)9-13-19-14(10-16(23)20-13)21-5-7-24-8-6-21/h1-4,10H,5-9H2,(H,18,22)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50538729 (CHEMBL4649617) Show SMILES ONC(=O)c1ccc(NCc2csc3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2S/c19-16(18-20)11-5-7-13(8-6-11)17-9-12-10-21-15-4-2-1-3-14(12)15/h1-8,10,17,20H,9H2,(H,18,19)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC6 using Z-(Ac)Lys-AMC as substrate after 90 mins by fluorescence based micro plate assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112338 BindingDB Entry DOI: 10.7270/Q2VD7363
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170205 ((R)-Phenyl-{[4-(4-pyridin-4-yl-phenyl)-thiophene-2...) Show SMILES OC(=O)[C@H](NC(=O)c1cc(cs1)-c1ccc(cc1)-c1ccncc1)c1ccccc1 Show InChI InChI=1S/C24H18N2O3S/c27-23(26-22(24(28)29)19-4-2-1-3-5-19)21-14-20(15-30-21)17-8-6-16(7-9-17)18-10-12-25-13-11-18/h1-15,22H,(H,26,27)(H,28,29)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392452 (CHEMBL2151922) Show SMILES COc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C17H20N4O4/c1-24-13-4-2-3-12(9-13)18-16(22)10-14-19-15(11-17(23)20-14)21-5-7-25-8-6-21/h2-4,9,11H,5-8,10H2,1H3,(H,18,22)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392449 (CHEMBL2151919) Show SMILES Cc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C17H20N4O3/c1-12-3-2-4-13(9-12)18-16(22)10-14-19-15(11-17(23)20-14)21-5-7-24-8-6-21/h2-4,9,11H,5-8,10H2,1H3,(H,18,22)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392458 (CHEMBL2151048) Show SMILES Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1Br Show InChI InChI=1S/C16H16BrFN4O3/c17-11-7-10(1-2-12(11)18)19-15(23)8-13-20-14(9-16(24)21-13)22-3-5-25-6-4-22/h1-2,7,9H,3-6,8H2,(H,19,23)(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50246866 (CHEMBL4078458 | US11505523, Compound 22d) Show SMILES COc1ccc(\C=C\C(=O)NO)c(c1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H19NO3/c1-26-20-13-11-19(12-14-22(24)23-25)21(15-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15,25H,1H3,(H,23,24)/b14-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC8 using H2N-Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 90 mins by fluorescence based micro plate assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112338 BindingDB Entry DOI: 10.7270/Q2VD7363
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50260597 (CHEMBL4079901) Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C23H27N3O6/c1-13-9-15(10-14(2)21(13)32-8-6-5-7-19(27)26-29)22-24-17-11-16(30-3)12-18(31-4)20(17)23(28)25-22/h9-12,29H,5-8H2,1-4H3,(H,26,27)(H,24,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC1 using Z-(Ac)Lys-AMC as substrate after 90 mins by fluorescence based micro plate assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112338 BindingDB Entry DOI: 10.7270/Q2VD7363
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392451 (CHEMBL2151921) Show SMILES Clc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C16H17ClN4O3/c17-11-2-1-3-12(8-11)18-15(22)9-13-19-14(10-16(23)20-13)21-4-6-24-7-5-21/h1-3,8,10H,4-7,9H2,(H,18,22)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50571866 (CHEMBL4862557) Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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					Assay Description Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00235 BindingDB Entry DOI: 10.7270/Q2QJ7N22
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389035 (CHEMBL2064419) Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1ccccc1 Show InChI InChI=1S/C16H18N4O3/c21-15(17-12-4-2-1-3-5-12)10-13-18-14(11-16(22)19-13)20-6-8-23-9-7-20/h1-5,11H,6-10H2,(H,17,21)(H,18,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392466 (CHEMBL2151935) Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(cc1=O)N1CCOCC1 Show InChI InChI=1S/C17H18ClFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392460 (CHEMBL2151929) Show SMILES [O-][N+](=O)c1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F Show InChI InChI=1S/C16H16FN5O5/c17-11-2-1-10(7-12(11)22(25)26)18-15(23)8-13-19-14(9-16(24)20-13)21-3-5-27-6-4-21/h1-2,7,9H,3-6,8H2,(H,18,23)(H,19,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50559724 (CHEMBL3220922) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112338 BindingDB Entry DOI: 10.7270/Q2VD7363
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50458430 (CHEMBL4206936) Show SMILES ONC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C13H12N2O4S/c16-13(14-17)10-5-4-8-12(9-10)20(18,19)15-11-6-2-1-3-7-11/h1-9,15,17H,(H,14,16)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC8 using H2N-Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 90 mins by fluorescence based micro plate assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112338 BindingDB Entry DOI: 10.7270/Q2VD7363
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50076744 (CHEMBL3416733) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00235 BindingDB Entry DOI: 10.7270/Q2QJ7N22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392454 (CHEMBL2151924) Show SMILES Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1F Show InChI InChI=1S/C16H16F2N4O3/c17-11-2-1-10(7-12(11)18)19-15(23)8-13-20-14(9-16(24)21-13)22-3-5-25-6-4-22/h1-2,7,9H,3-6,8H2,(H,19,23)(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170206 (4-(4'-Acetyl-biphenyl-4-yl)-thiophene-2-carboxylic...) Show SMILES CC(=O)c1ccc(cc1)-c1ccc(cc1)-c1csc(c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C25H26N2O3S/c1-18(28)19-2-4-20(5-3-19)21-6-8-22(9-7-21)23-16-24(31-17-23)25(29)26-10-11-27-12-14-30-15-13-27/h2-9,16-17H,10-15H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50392455 (CHEMBL2151925) Show SMILES Cc1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F Show InChI InChI=1S/C17H19FN4O3/c1-11-8-12(2-3-13(11)18)19-16(23)9-14-20-15(10-17(24)21-14)22-4-6-25-7-5-22/h2-3,8,10H,4-7,9H2,1H3,(H,19,23)(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50564920 (CHEMBL4789607) Show SMILES COc1ccc(cc1C(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C(=O)NO 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	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC8 using H2N-Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 90 mins by fluorescence based micro plate assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112338 BindingDB Entry DOI: 10.7270/Q2VD7363
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170203 ((4-Biphenyl-4-yl-thiophene-2-carbonyl)-carbamic ac...) Show SMILES Cc1ccc(COC(=O)NC(=O)c2cc(cs2)-c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H21NO3S/c1-18-7-9-19(10-8-18)16-30-26(29)27-25(28)24-15-23(17-31-24)22-13-11-21(12-14-22)20-5-3-2-4-6-20/h2-15,17H,16H2,1H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170207 (CHEMBL180762 | [4-(2'-Hydroxy-biphenyl-4-yl)-thiop...) Show SMILES Cc1ccc(COC(=O)NC(=O)c2cc(cs2)-c2ccc(cc2)-c2ccccc2O)cc1 Show InChI InChI=1S/C26H21NO4S/c1-17-6-8-18(9-7-17)15-31-26(30)27-25(29)24-14-21(16-32-24)19-10-12-20(13-11-19)22-4-2-3-5-23(22)28/h2-14,16,28H,15H2,1H3,(H,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50246846 (CHEMBL4105068) Show SMILES COc1ccc(cc1NCc1ccccc1)C(=O)NO Show InChI InChI=1S/C15H16N2O3/c1-20-14-8-7-12(15(18)17-19)9-13(14)16-10-11-5-3-2-4-6-11/h2-9,16,19H,10H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC8 using H2N-Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 90 mins by fluorescence based micro plate assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112338 BindingDB Entry DOI: 10.7270/Q2VD7363
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392468 (CHEMBL2151820) Show SMILES Fc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C16H17FN4O3/c17-11-2-1-3-12(8-11)18-15(22)9-13-19-14(10-16(23)20-13)21-4-6-24-7-5-21/h1-3,8,10H,4-7,9H2,(H,18,22)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50392469 (CHEMBL2151821) Show SMILES Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1 Show InChI InChI=1S/C16H17FN4O3/c17-11-1-3-12(4-2-11)18-15(22)9-13-19-14(10-16(23)20-13)21-5-7-24-8-6-21/h1-4,10H,5-9H2,(H,18,22)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50571865 (CHEMBL4863142) Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00235 BindingDB Entry DOI: 10.7270/Q2QJ7N22
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170201 (4-(4-Pyridin-4-yl-phenyl)-thiophene-2-carboxylic a...) Show SMILES O=C(NCCN1CCOCC1)c1cc(cs1)-c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C22H23N3O2S/c26-22(24-9-10-25-11-13-27-14-12-25)21-15-20(16-28-21)18-3-1-17(2-4-18)19-5-7-23-8-6-19/h1-8,15-16H,9-14H2,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170201 (4-(4-Pyridin-4-yl-phenyl)-thiophene-2-carboxylic a...) Show SMILES O=C(NCCN1CCOCC1)c1cc(cs1)-c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C22H23N3O2S/c26-22(24-9-10-25-11-13-27-14-12-25)21-15-20(16-28-21)18-3-1-17(2-4-18)19-5-7-23-8-6-19/h1-8,15-16H,9-14H2,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392465 (CHEMBL2151934) Show SMILES COc1cc(NC(=O)Cc2nc(cc(=O)n2C)N2CCOCC2)ccc1F Show InChI InChI=1S/C18H21FN4O4/c1-22-15(21-16(11-18(22)25)23-5-7-27-8-6-23)10-17(24)20-12-3-4-13(19)14(9-12)26-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50564924 (CHEMBL4790363) Show SMILES Cc1cc2cc(NC(=O)c3cc(ccc3Cl)C(=O)NO)ccc2n(C)c1=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	113	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC8 using H2N-Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 90 mins by fluorescence based micro plate assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112338 BindingDB Entry DOI: 10.7270/Q2VD7363
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50571867 (CHEMBL4875461) Show SMILES OC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00235 BindingDB Entry DOI: 10.7270/Q2QJ7N22
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50389035 (CHEMBL2064419) Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1ccccc1 Show InChI InChI=1S/C16H18N4O3/c21-15(17-12-4-2-1-3-5-12)10-13-18-14(11-16(22)19-13)20-6-8-23-9-7-20/h1-5,11H,6-10H2,(H,17,21)(H,18,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50571872 (CHEMBL4864508) Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cccc2cc(oc12)-c1ccc(Cl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00235 BindingDB Entry DOI: 10.7270/Q2QJ7N22
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50392454 (CHEMBL2151924) Show SMILES Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1F Show InChI InChI=1S/C16H16F2N4O3/c17-11-2-1-10(7-12(11)18)19-15(23)8-13-20-14(9-16(24)21-13)22-3-5-25-6-4-22/h1-2,7,9H,3-6,8H2,(H,19,23)(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50392456 (CHEMBL2151926) Show SMILES Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1Cl Show InChI InChI=1S/C16H16ClFN4O3/c17-11-7-10(1-2-12(11)18)19-15(23)8-13-20-14(9-16(24)21-13)22-3-5-25-6-4-22/h1-2,7,9H,3-6,8H2,(H,19,23)(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392467 (CHEMBL2151819) Show SMILES Fc1ccccc1NC(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C16H17FN4O3/c17-11-3-1-2-4-12(11)18-15(22)9-13-19-14(10-16(23)20-13)21-5-7-24-8-6-21/h1-4,10H,5-9H2,(H,18,22)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50392457 (CHEMBL2151927) Show SMILES COc1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F Show InChI InChI=1S/C17H19FN4O4/c1-25-13-8-11(2-3-12(13)18)19-16(23)9-14-20-15(10-17(24)21-14)22-4-6-26-7-5-22/h2-3,8,10H,4-7,9H2,1H3,(H,19,23)(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50180980 (CHEMBL3818594) Show SMILES Cc1noc(C)c1-c1cc(NC(=O)CCCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H29N3O5/c1-17-25(18(2)34-29-17)20-14-21(26(32)19-10-6-5-7-11-19)16-22(15-20)27-23(30)12-8-3-4-9-13-24(31)28-33/h5-7,10-11,14-16,33H,3-4,8-9,12-13H2,1-2H3,(H,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC1 using Z-(Ac)Lys-AMC as substrate after 90 mins by fluorescence based micro plate assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112338 BindingDB Entry DOI: 10.7270/Q2VD7363
					More data for this Ligand-Target Pair

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