Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 502.6 BDBM415104

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415104 (Intermediate 1-10-1 | US10428044, Example 204) Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(Nc2cnn(Cc3ccccc3)c2)c1 Show InChI InChI=1S/C31H30N6O/c1-31(2)16-25-28(26(38)17-31)30(35-23-11-7-4-8-12-23)29(36-25)22-13-14-32-27(15-22)34-24-18-33-37(20-24)19-21-9-5-3-6-10-21/h3-15,18,20,35-36H,16-17,19H2,1-2H3,(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42.6	n/a	n/a	n/a	n/a	n/a	n/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