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SMILES: CC1(C)Cc2[nH]c(c(Nc3cccc(F)c3CO)c2C(=O)C1)-c1ccncc1

InChI Key: InChIKey=UTKCOIPKMKNQTD-UHFFFAOYSA-N

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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 = 415373   
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
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))		BDBM415373
PNG
(Preparation of 3-{[3-fluoro-2-(hydroxymethyl)pheny...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3cccc(F)c3CO)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1S/C22H22FN3O2/c1-22(2)10-17-19(18(28)11-22)21(20(26-17)13-6-8-24-9-7-13)25-16-5-3-4-15(23)14(16)12-27/h3-9,25-27H,10-12H2,1-2H3
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MMDB

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PC cid
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US Patent
n/an/a 3.45n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...

US Patent US10428044 (2019)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair