BDBM50517188 CHEMBL4476533

SMILES: Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)N3CCc4ccccc4C3)c2c1

InChI Key: InChIKey=XXLAUVPHGYKZNQ-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 = 50517188   

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))	BDBM50517188 (CHEMBL4476533 | US11053226, Example 129) Show SMILES Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)N3CCc4ccccc4C3)c2c1 Show InChI InChI=1S/C26H25BrN4O3/c1-2-25(33)31-13-20(14-31)28-24(32)16-30-15-22(21-11-19(27)7-8-23(21)30)26(34)29-10-9-17-5-3-4-6-18(17)12-29/h2-8,11,15,20H,1,9-10,12-14,16H2,(H,28,32)	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	3.65E+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))	BDBM50517188 (CHEMBL4476533 | US11053226, Example 129) Show SMILES Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)N3CCc4ccccc4C3)c2c1 Show InChI InChI=1S/C26H25BrN4O3/c1-2-25(33)31-13-20(14-31)28-24(32)16-30-15-22(21-11-19(27)7-8-23(21)30)26(34)29-10-9-17-5-3-4-6-18(17)12-29/h2-8,11,15,20H,1,9-10,12-14,16H2,(H,28,32)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	190	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))	BDBM50517188 (CHEMBL4476533 | US11053226, Example 129) Show SMILES Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)N3CCc4ccccc4C3)c2c1 Show InChI InChI=1S/C26H25BrN4O3/c1-2-25(33)31-13-20(14-31)28-24(32)16-30-15-22(21-11-19(27)7-8-23(21)30)26(34)29-10-9-17-5-3-4-6-18(17)12-29/h2-8,11,15,20H,1,9-10,12-14,16H2,(H,28,32)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.27E+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))	BDBM50517188 (CHEMBL4476533 | US11053226, Example 129) Show SMILES Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)N3CCc4ccccc4C3)c2c1 Show InChI InChI=1S/C26H25BrN4O3/c1-2-25(33)31-13-20(14-31)28-24(32)16-30-15-22(21-11-19(27)7-8-23(21)30)26(34)29-10-9-17-5-3-4-6-18(17)12-29/h2-8,11,15,20H,1,9-10,12-14,16H2,(H,28,32)	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	1.27E+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