Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM50151584'   

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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50151584 (CHEMBL3775613) Show SMILES CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)COCCOCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O Show InChI InChI=1S/C155H278N70O40/c1-80(2)71-100(214-129(248)96(39-21-63-199-184)210-136(255)106(77-227)219-130(249)95(37-19-61-197-154(180)181)203-120(239)86-28-10-51-185-86)134(253)222-116(81(3)4)141(260)211-97(38-20-62-198-155(182)183)128(247)213-99(27-6-8-50-186-114(233)79-265-70-69-264-68-64-187-119(238)87(29-11-53-189-146(164)165)202-122(241)89(31-13-55-191-148(168)169)205-124(243)91(33-15-57-193-150(172)173)207-126(245)93(35-17-59-195-152(176)177)208-125(244)92(34-16-58-194-151(174)175)206-123(242)90(32-14-56-192-149(170)171)204-121(240)88(30-12-54-190-147(166)167)201-118(237)84(157)25-9-52-188-145(162)163)143(262)224-66-23-42-110(224)140(259)221-107(78-228)137(256)218-104(75-115(234)235)144(263)225-67-24-41-109(225)139(258)216-102(73-112(159)231)132(251)209-94(36-18-60-196-153(178)179)127(246)212-98(26-5-7-49-156)142(261)223-65-22-40-108(223)138(257)217-103(74-113(160)232)133(252)215-101(72-82-43-45-83(229)46-44-82)131(250)220-105(76-226)135(254)200-85(117(161)236)47-48-111(158)230/h43-46,80-81,84-110,116,185,199,226-229H,5-42,47-79,156-157,184H2,1-4H3,(H2,158,230)(H2,159,231)(H2,160,232)(H2,161,236)(H,186,233)(H,187,238)(H,200,254)(H,201,237)(H,202,241)(H,203,239)(H,204,240)(H,205,243)(H,206,242)(H,207,245)(H,208,244)(H,209,251)(H,210,255)(H,211,260)(H,212,246)(H,213,247)(H,214,248)(H,215,252)(H,216,258)(H,217,257)(H,218,256)(H,219,249)(H,220,250)(H,221,259)(H,222,253)(H,234,235)(H4,162,163,188)(H4,164,165,189)(H4,166,167,190)(H4,168,169,191)(H4,170,171,192)(H4,172,173,193)(H4,174,175,194)(H4,176,177,195)(H4,178,179,196)(H4,180,181,197)(H4,182,183,198)/t84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105?,106-,107-,108-,109-,110-,116-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged human recombinant LSD1 (1 to 852 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me...				J Med Chem 59: 1531-44 (2016) Article DOI: 10.1021/acs.jmedchem.5b01323 BindingDB Entry DOI: 10.7270/Q2JH3P22
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