BDBM50517185 CHEMBL4466759

SMILES: Fc1cccc2CN(CCc12)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12

InChI Key: InChIKey=YYNAVMPHBCXAST-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 50517185   

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))	BDBM50517185 (CHEMBL4466759 | US11053226, Example 118) Show SMILES Fc1cccc2CN(CCc12)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12 Show InChI InChI=1S/C26H24BrFN4O3/c1-2-25(34)32-12-18(13-32)29-24(33)15-31-14-21(20-10-17(27)6-7-23(20)31)26(35)30-9-8-19-16(11-30)4-3-5-22(19)28/h2-7,10,14,18H,1,8-9,11-13,15H2,(H,29,33)	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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of KRAS G12C mutant in human MIAPaCa2 cells assessed as reduction in EGF-induced ERK1/2 phosphorylation incubated for 4 hrs followed by EG...				ACS Med Chem Lett 10: 1302-1308 (2019) Article DOI: 10.1021/acsmedchemlett.9b00258
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50517185 (CHEMBL4466759 | US11053226, Example 118) Show SMILES Fc1cccc2CN(CCc12)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12 Show InChI InChI=1S/C26H24BrFN4O3/c1-2-25(34)32-12-18(13-32)29-24(33)15-31-14-21(20-10-17(27)6-7-23(20)31)26(35)30-9-8-19-16(11-30)4-3-5-22(19)28/h2-7,10,14,18H,1,8-9,11-13,15H2,(H,29,33)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50517185 (CHEMBL4466759 | US11053226, Example 118) Show SMILES Fc1cccc2CN(CCc12)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12 Show InChI InChI=1S/C26H24BrFN4O3/c1-2-25(34)32-12-18(13-32)29-24(33)15-31-14-21(20-10-17(27)6-7-23(20)31)26(35)30-9-8-19-16(11-30)4-3-5-22(19)28/h2-7,10,14,18H,1,8-9,11-13,15H2,(H,29,33)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50517185 (CHEMBL4466759 | US11053226, Example 118) Show SMILES Fc1cccc2CN(CCc12)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12 Show InChI InChI=1S/C26H24BrFN4O3/c1-2-25(34)32-12-18(13-32)29-24(33)15-31-14-21(20-10-17(27)6-7-23(20)31)26(35)30-9-8-19-16(11-30)4-3-5-22(19)28/h2-7,10,14,18H,1,8-9,11-13,15H2,(H,29,33)	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	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of GDP bound N terminal His-tagged KRAS G12C/C118A mutant (unknown origin) (1 to 169 residues) assessed as reduction in SOS-mediated guani...				ACS Med Chem Lett 10: 1302-1308 (2019) Article DOI: 10.1021/acsmedchemlett.9b00258
					More data for this Ligand-Target Pair