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BDBM50457516 CHEMBL4214213

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O

InChI Key: InChIKey=PKWPAISHBYFEGB-CXJKEUGLSA-O

Data: 1 Kd

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50457516   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Lysine-specific demethylase 4A


(Homo sapiens (Human))		BDBM50457516
PNG
(CHEMBL4214213)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C58H106N24O14/c1-31(2)25-39(51(91)75-38(19-14-23-71-58(66)67)49(89)78-41(28-44(84)85)53(93)80-42(55(95)96)27-43(61)83)79-54(94)45(32(3)4)81-50(90)35(16-9-11-24-82(5,6)7)74-47(87)37(18-13-22-70-57(64)65)76-52(92)40(26-33-29-68-30-72-33)77-48(88)36(17-12-21-69-56(62)63)73-46(86)34(60)15-8-10-20-59/h29-32,34-42,45H,8-28,59-60H2,1-7H3,(H25-,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,83,84,85,86,87,88,89,90,91,92,93,94,95,96)/p+1/t34-,35-,36-,37-,38-,39-,40-,41-,42-,45-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.70E+3n/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to thrombin cleavable N-terminal 6His tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to 1011 residues) expressed i...

Bioorg Med Chem Lett 28: 1708-1713 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.050
BindingDB Entry DOI: 10.7270/Q2WM1H1X
More data for this
Ligand-Target Pair