BDBM50282162 CHEMBL4173016

SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=S)Nc1ccc(C2=C3C=CC(O)=CC3Oc3cc(O)ccc23)c(c1)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O

InChI Key: InChIKey=SYPCDSAZIPUYCF-CYORGSIPSA-N

Data: 1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50282162   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50282162 (CHEMBL4173016) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=S)Nc1ccc(C2=C3C=CC(O)=CC3Oc3cc(O)ccc23)c(c1)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r,c:87,89,92| Show InChI InChI=1S/C86H134N26O26S/c1-41(70(122)103-57(20-15-32-94-84(90)91)74(126)105-55(18-10-13-31-88)75(127)108-60(40-113)78(130)109-67(44(4)114)79(131)97-38-64(120)96-39-65(121)102-54(17-9-12-30-87)72(124)99-43(3)82(134)135)98-80(132)68(45(5)115)110-77(129)59(28-29-63(89)119)106-73(125)56(19-11-14-34-112(7)8)107-81(133)69(46(6)116)111-76(128)58(21-16-33-95-85(92)93)104-71(123)42(2)100-86(139)101-47-22-25-50(53(35-47)83(136)137)66-51-26-23-48(117)36-61(51)138-62-37-49(118)24-27-52(62)66/h22-27,35-37,41-46,54-61,67-69,113-118H,9-21,28-34,38-40,87-88H2,1-8H3,(H2,89,119)(H,96,120)(H,97,131)(H,98,132)(H,99,124)(H,102,121)(H,103,122)(H,104,123)(H,105,126)(H,106,125)(H,107,133)(H,108,127)(H,109,130)(H,110,129)(H,111,128)(H,134,135)(H,136,137)(H4,90,91,94)(H4,92,93,95)(H2,100,101,139)/t41-,42-,43-,44+,45+,46+,54-,55-,56-,57-,58-,59-,60-,61?,67-,68-,69-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of JARID1A (unknown origin)				Eur J Med Chem 136: 14-35 (2017) Article DOI: 10.1016/j.ejmech.2017.04.047 BindingDB Entry DOI: 10.7270/Q2F76G3G
					More data for this Ligand-Target Pair