Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Egl nine homolog 1' and Ligand = 'BDBM50303768'   

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))	BDBM50303768 (CHEMBL578183) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C101H152N20O34S2/c1-14-53(10)82(100(153)121-35-19-23-74(121)97(150)108-62(33-37-157-13)87(140)113-68(45-78(128)129)94(147)116-71(48-81(134)135)95(148)115-70(47-80(132)133)93(146)112-66(42-55-20-16-15-17-21-55)91(144)105-59(28-30-75(103)123)85(138)118-72(101(154)155)41-52(8)9)119-96(149)67(43-56-24-26-57(122)27-25-56)117-98(151)73-22-18-34-120(73)99(152)54(11)104-88(141)63(38-49(2)3)110-86(139)61(32-36-156-12)107-84(137)60(29-31-76(124)125)106-89(142)65(40-51(6)7)111-92(145)69(46-79(130)131)114-90(143)64(39-50(4)5)109-83(136)58(102)44-77(126)127/h15-17,20-21,24-27,49-54,58-74,82,122H,14,18-19,22-23,28-48,102H2,1-13H3,(H2,103,123)(H,104,141)(H,105,144)(H,106,142)(H,107,137)(H,108,150)(H,109,136)(H,110,139)(H,111,145)(H,112,146)(H,113,140)(H,114,143)(H,115,148)(H,116,147)(H,117,151)(H,118,138)(H,119,149)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)(H,134,135)(H,154,155)/t53-,54-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,82-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human PHD2-Mn(II) using 12.5% H2O/87.5% D2O MQC spectrometer operated at 500 MHz at 298K temperature				J Med Chem 53: 867-75 (2010) Article DOI: 10.1021/jm901537q BindingDB Entry DOI: 10.7270/Q2JD4WWN
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