BDBM50514394 CHEMBL4578214

SMILES: CC(C)c1ccnc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F

InChI Key: InChIKey=PBJSCGYZQIVUJE-KRWDZBQOSA-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 = 50514394   

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
GTPase KRas (Homo sapiens (Human))	BDBM50514394 (CHEMBL4578214) Show SMILES CC(C)c1ccnc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(49.04,-14.69,;50.37,-15.46,;50.38,-16.99,;51.7,-14.69,;53.03,-15.45,;54.36,-14.67,;54.35,-13.13,;53.01,-12.37,;53,-10.84,;51.69,-13.14,;50.36,-12.38,;50.35,-10.85,;51.69,-10.07,;51.69,-8.52,;50.35,-7.75,;50.35,-6.21,;49.02,-8.52,;49.02,-10.07,;47.69,-10.84,;47.68,-12.37,;49.02,-13.14,;47.68,-13.9,;46.36,-10.06,;46.37,-8.52,;45.05,-7.74,;43.71,-8.5,;43.7,-10.05,;45.03,-10.83,;45.03,-12.37,;42.38,-7.72,;42.39,-6.18,;41.03,-8.48,;39.7,-7.7,;53.02,-7.75,;54.36,-8.51,;54.36,-10.05,;55.69,-7.74,;55.69,-6.2,;54.34,-5.43,;53.01,-6.21,;51.67,-5.44,)| Show InChI InChI=1S/C30H30ClFN6O3/c1-6-24(40)36-12-13-37(17(4)15-36)28-20-14-21(31)26(25-22(32)8-7-9-23(25)39)34-29(20)38(30(41)35-28)27-18(5)33-11-10-19(27)16(2)3/h6-11,14,16-17,39H,1,12-13,15H2,2-5H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of KRAS in human MIAPaca2 cells assessed as decrease in EGF-stimulated ERK1/2 phosphorylation preincubated for 2 hrs followed by EGF stimu...				J Med Chem 63: 52-65 (2020) Article DOI: 10.1021/acs.jmedchem.9b01180
					More data for this Ligand-Target Pair