Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50462983'   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50462983 (CHEMBL4240492) Show SMILES CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r| Show InChI InChI=1S/C48H88N18O11/c1-9-26(8)37-46(77)64-32(20-25(6)7)44(75)65-34(22-58-40(71)33(21-36(68)66-37)61-39(70)27(49)12-10-16-56-47(52)53)45(76)60-29(13-11-17-57-48(54)55)41(72)62-31(19-24(4)5)43(74)63-30(18-23(2)3)42(73)59-28(38(51)69)14-15-35(50)67/h23-34,37H,9-22,49H2,1-8H3,(H2,50,67)(H2,51,69)(H,58,71)(H,59,73)(H,60,76)(H,61,70)(H,62,72)(H,63,74)(H,64,77)(H,65,75)(H,66,68)(H4,52,53,56)(H4,54,55,57)/t26-,27-,28-,29-,30-,31-,32-,33-,34-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) using FITC-labelled compound after 1 ...				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
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