Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50043829   

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
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50385806 (CHEMBL2041193) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1 Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-14-34-27(21)19-36-16-12-32(13-17-36)30(41)37(31(42)38(32)28-11-15-33-20-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-11,14-15,18,20H,12-13,16-17,19H2,1-2H3,(H,39,40)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged full length PHD2 (unknown origin) expressed in Sf9 cells using HIF-1alpha peptide as substrate preincubated for 30 mins fol...				J Med Chem 56: 9369-402 (2014) Article DOI: 10.1021/jm400386j BindingDB Entry DOI: 10.7270/Q290258T
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50446893 (CHEMBL3115307) Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(Cl)cnc2n(Cc2ccc(nc2)C(F)(F)F)c1=O Show InChI InChI=1S/C18H12ClF3N4O5/c19-9-3-10-14(29)13(16(30)25-6-12(27)28)17(31)26(15(10)24-5-9)7-8-1-2-11(23-4-8)18(20,21)22/h1-5,29H,6-7H2,(H,25,30)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged full length PHD2 (unknown origin) expressed in Sf9 cells using HIF-1alpha peptide as substrate preincubated for 30 mins fol...				J Med Chem 56: 9369-402 (2014) Article DOI: 10.1021/jm400386j BindingDB Entry DOI: 10.7270/Q290258T
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50446885 (CHEMBL3115276) Show SMILES Cc1cccc(CN2CCC3(CC2)C(=O)N(c2ccc(cc32)C(O)=O)c2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C32H29N3O3/c1-22-6-5-9-26(33-22)21-34-18-16-32(17-19-34)28-20-25(30(36)37)12-15-29(28)35(31(32)38)27-13-10-24(11-14-27)23-7-3-2-4-8-23/h2-15,20H,16-19,21H2,1H3,(H,36,37)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged full length PHD2 (unknown origin) expressed in Sf9 cells using HIF-1alpha peptide as substrate preincubated for 30 mins fol...				J Med Chem 56: 9369-402 (2014) Article DOI: 10.1021/jm400386j BindingDB Entry DOI: 10.7270/Q290258T
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50446888 (CHEMBL3115311) Show SMILES O=C(Cc1ccc2ccccc2c1)Nc1cnc([nH]c1=O)-n1cccn1 Show InChI InChI=1S/C19H15N5O2/c25-17(11-13-6-7-14-4-1-2-5-15(14)10-13)22-16-12-20-19(23-18(16)26)24-9-3-8-21-24/h1-10,12H,11H2,(H,22,25)(H,20,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged full length PHD2 (unknown origin) expressed in Sf9 cells using HIF-1alpha peptide as substrate preincubated for 30 mins fol...				J Med Chem 56: 9369-402 (2014) Article DOI: 10.1021/jm400386j BindingDB Entry DOI: 10.7270/Q290258T
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50005349 (CHEMBL3115310) Show SMILES OC(=O)CNC(=O)c1c(O)c2CN(Cc2n(Cc2ccc(cc2)C(F)(F)F)c1=O)C(=O)C1CC1 Show InChI InChI=1S/C22H20F3N3O6/c23-22(24,25)13-5-1-11(2-6-13)8-28-15-10-27(20(33)12-3-4-12)9-14(15)18(31)17(21(28)34)19(32)26-7-16(29)30/h1-2,5-6,12,31H,3-4,7-10H2,(H,26,32)(H,29,30)	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	<10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged full length PHD2 (unknown origin) expressed in Sf9 cells using HIF-1alpha peptide as substrate preincubated for 30 mins fol...				J Med Chem 56: 9369-402 (2014) Article DOI: 10.1021/jm400386j BindingDB Entry DOI: 10.7270/Q290258T
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50005351 (CHEMBL3115308) Show SMILES OC(=O)CNC(=O)c1c(O)c2COCc2n(CC2Cc3ccccc3C2)c1=O Show InChI InChI=1S/C20H20N2O6/c23-16(24)7-21-19(26)17-18(25)14-9-28-10-15(14)22(20(17)27)8-11-5-12-3-1-2-4-13(12)6-11/h1-4,11,25H,5-10H2,(H,21,26)(H,23,24)	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	<10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged full length PHD2 (unknown origin) expressed in Sf9 cells using HIF-1alpha peptide as substrate preincubated for 30 mins fol...				J Med Chem 56: 9369-402 (2014) Article DOI: 10.1021/jm400386j BindingDB Entry DOI: 10.7270/Q290258T
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50005350 (CHEMBL3115309) Show SMILES OC(=O)CNC(=O)c1c(O)c2CSCc2n(Cc2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C18H15F3N2O5S/c19-18(20,21)10-3-1-9(2-4-10)6-23-12-8-29-7-11(12)15(26)14(17(23)28)16(27)22-5-13(24)25/h1-4,26H,5-8H2,(H,22,27)(H,24,25)	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	<10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged full length PHD2 (unknown origin) expressed in Sf9 cells using HIF-1alpha peptide as substrate preincubated for 30 mins fol...				J Med Chem 56: 9369-402 (2014) Article DOI: 10.1021/jm400386j BindingDB Entry DOI: 10.7270/Q290258T
					More data for this Ligand-Target Pair