BDBM158743 US9034866, 218

SMILES: Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3C3CC(C3)c2cc1F

InChI Key: InChIKey=MSMZRZXLZIFSCY-ZLWIMJCWSA-N

Data: 3 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 3 hits for monomerid = 158743   

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
Protein kinase C, PKC; classical/novel (Homo sapiens (Human))	BDBM158743 (US9034866, 218) Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3C3CC(C3)c2cc1F |r,wU:6.8,wD:6.9,(-9.15,-.72,;-7.82,-1.49,;-6.57,-.59,;-5.32,-1.49,;-5.8,-2.96,;-7.34,-2.96,;-3.99,-.72,;-3.22,-2.06,;-5.32,.05,;-2.66,.05,;-1.32,.82,;.01,1.59,;1.34,.82,;2.68,1.59,;3.88,.63,;3.74,-.91,;5.16,-1.51,;5.56,-3,;4.47,-4.09,;7.05,-3.4,;6.17,-.35,;7.66,-.75,;8.75,-1.84,;9.15,-.35,;5.38,.97,;6.05,2.36,;5.38,3.75,;3.88,4.09,;4.56,2.76,;2.68,3.13,;1.34,3.9,;.01,3.13,;-1.32,3.9,)| Show InChI InChI=1S/C25H23FN4O3/c1-12-7-20(29-33-12)25(2,32)6-5-14-10-18-17(11-19(14)26)15-8-16(9-15)30-22(13-3-4-13)21(23(27)31)28-24(18)30/h7,10-11,13,15-16,32H,3-4,8-9H2,1-2H3,(H2,27,31)/t15?,16?,25-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged human PRKD1 expressed in Baculovirus expression system using ATP as substrate incubated for 1 to 2 hrs by transc...				ACS Med Chem Lett 10: 1260-1265 (2019) Article DOI: 10.1021/acsmedchemlett.8b00658
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158743 (US9034866, 218) Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3C3CC(C3)c2cc1F |r,wU:6.8,wD:6.9,(-9.15,-.72,;-7.82,-1.49,;-6.57,-.59,;-5.32,-1.49,;-5.8,-2.96,;-7.34,-2.96,;-3.99,-.72,;-3.22,-2.06,;-5.32,.05,;-2.66,.05,;-1.32,.82,;.01,1.59,;1.34,.82,;2.68,1.59,;3.88,.63,;3.74,-.91,;5.16,-1.51,;5.56,-3,;4.47,-4.09,;7.05,-3.4,;6.17,-.35,;7.66,-.75,;8.75,-1.84,;9.15,-.35,;5.38,.97,;6.05,2.36,;5.38,3.75,;3.88,4.09,;4.56,2.76,;2.68,3.13,;1.34,3.9,;.01,3.13,;-1.32,3.9,)| Show InChI InChI=1S/C25H23FN4O3/c1-12-7-20(29-33-12)25(2,32)6-5-14-10-18-17(11-19(14)26)15-8-16(9-15)30-22(13-3-4-13)21(23(27)31)28-24(18)30/h7,10-11,13,15-16,32H,3-4,8-9H2,1-2H3,(H2,27,31)/t15?,16?,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.310	n/a	n/a	n/a	n/a	n/a	n/a	7.2	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 monitored u...				US Patent US9034866 (2015) BindingDB Entry DOI: 10.7270/Q2GX49B0
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158743 (US9034866, 218) Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3C3CC(C3)c2cc1F |r,wU:6.8,wD:6.9,(-9.15,-.72,;-7.82,-1.49,;-6.57,-.59,;-5.32,-1.49,;-5.8,-2.96,;-7.34,-2.96,;-3.99,-.72,;-3.22,-2.06,;-5.32,.05,;-2.66,.05,;-1.32,.82,;.01,1.59,;1.34,.82,;2.68,1.59,;3.88,.63,;3.74,-.91,;5.16,-1.51,;5.56,-3,;4.47,-4.09,;7.05,-3.4,;6.17,-.35,;7.66,-.75,;8.75,-1.84,;9.15,-.35,;5.38,.97,;6.05,2.36,;5.38,3.75,;3.88,4.09,;4.56,2.76,;2.68,3.13,;1.34,3.9,;.01,3.13,;-1.32,3.9,)| Show InChI InChI=1S/C25H23FN4O3/c1-12-7-20(29-33-12)25(2,32)6-5-14-10-18-17(11-19(14)26)15-8-16(9-15)30-22(13-3-4-13)21(23(27)31)28-24(18)30/h7,10-11,13,15-16,32H,3-4,8-9H2,1-2H3,(H2,27,31)/t15?,16?,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) using ATP as substrate by transcreener ADP assay based fluorescence correlation spectroscopic analysis				ACS Med Chem Lett 10: 1260-1265 (2019) Article DOI: 10.1021/acsmedchemlett.8b00658
					More data for this Ligand-Target Pair