BDBM312760 1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin-3- yl]ethynyl]phenyl]-4-(meth- ylamino)pyrazolo[4,3-c]pyri- dine-3-carboxamide::US9605005, Example 49

SMILES: CNc1nccc2n(nc(C(N)=O)c12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O

InChI Key: InChIKey=ZMKYWXXPLYQIBK-NRFANRHFSA-N

Data: 1 KI

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 = 312760   

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
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM312760 (1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...) Show SMILES CNc1nccc2n(nc(C(N)=O)c12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r| Show InChI InChI=1S/C21H20N6O3/c1-23-19-16-15(7-10-24-19)27(25-17(16)18(22)28)14-5-3-4-13(12-14)6-8-21(30)9-11-26(2)20(21)29/h3-5,7,10,12,30H,9,11H2,1-2H3,(H2,22,28)(H,23,24)/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5′-triphosphate (ATP) was monit...				US Patent US9605005 (2017) BindingDB Entry DOI: 10.7270/Q2T43W61
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