BDBM484447 US10934285, Example 33

SMILES: CC1(CN)CCN(CC1)c1nnc(Sc2cccc(NC(=O)c3c(O)nc4ccccn4c3=O)c2Cl)c(N)n1

InChI Key: InChIKey=MSVQUHDOSVTHQS-UHFFFAOYSA-N

Data: 1 IC50

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 = 484447   

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
SH2B adapter protein 2 (Human)	BDBM484447 (US10934285, Example 33) Show SMILES CC1(CN)CCN(CC1)c1nnc(Sc2cccc(NC(=O)c3c(O)nc4ccccn4c3=O)c2Cl)c(N)n1 Show InChI InChI=1S/C25H26ClN9O3S/c1-25(13-27)8-11-34(12-9-25)24-31-19(28)22(32-33-24)39-15-6-4-5-14(18(15)26)29-20(36)17-21(37)30-16-7-2-3-10-35(16)23(17)38/h2-7,10,37H,8-9,11-13,27H2,1H3,(H,29,36)(H2,28,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021)
					More data for this Ligand-Target Pair