Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Atrial natriuretic peptide receptor 3' and Ligand = 'BDBM50254063'   

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
Atrial natriuretic peptide receptor 3 (Homo sapiens (Human))	BDBM50254063 (CHEMBL4102000) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NCC(=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO |r| Show InChI InChI=1S/C127H203N45O39S3/c1-9-64(6)99-121(209)150-53-94(182)151-65(7)100(188)154-76(34-35-91(129)179)108(196)166-85(56-174)103(191)149-54-96(184)153-78(43-62(2)3)115(203)171-97(185)51-146-89(119(207)163-82(48-92(130)180)113(201)168-86(57-175)116(204)162-81(46-67-23-14-11-15-24-67)112(200)157-73(27-18-39-143-125(135)136)106(194)165-84(122(210)211)47-68-30-32-69(178)33-31-68)60-213-214-61-90(170-118(206)88(59-177)169-117(205)87(58-176)167-107(195)74(28-19-40-144-126(137)138)155-105(193)72(26-17-38-142-124(133)134)156-111(199)79(44-63(4)5)160-101(189)70(128)55-173)120(208)161-80(45-66-21-12-10-13-22-66)102(190)148-50-93(181)147-52-95(183)152-71(25-16-37-141-123(131)132)104(192)159-77(36-42-212-8)109(197)164-83(49-98(186)187)114(202)158-75(110(198)172-99)29-20-41-145-127(139)140/h10-15,21-24,30-33,62-65,70-90,99,146,173-178H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,147,181)(H,148,190)(H,149,191)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,188)(H,155,193)(H,156,199)(H,157,200)(H,158,202)(H,159,192)(H,160,189)(H,161,208)(H,162,204)(H,163,207)(H,164,197)(H,165,194)(H,166,196)(H,167,195)(H,168,201)(H,169,205)(H,170,206)(H,172,198)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)(H,171,185,203)/t64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0580	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...				Bioorg Med Chem Lett 27: 3542-3545 (2017) Article DOI: 10.1016/j.bmcl.2017.05.061 BindingDB Entry DOI: 10.7270/Q2F19241
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