BDBM50517175 CHEMBL4455193

SMILES: Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)NCc3ccccc3)c2c1

InChI Key: InChIKey=UYUICJLVPDAAOJ-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 = 50517175   

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))	BDBM50517175 (CHEMBL4455193 | US11053226, Example 163) Show SMILES Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)NCc3ccccc3)c2c1 Show InChI InChI=1S/C24H23BrN4O3/c1-2-23(31)29-12-18(13-29)27-22(30)15-28-14-20(19-10-17(25)8-9-21(19)28)24(32)26-11-16-6-4-3-5-7-16/h2-10,14,18H,1,11-13,15H2,(H,26,32)(H,27,30)	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	1.42E+4	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
GTPase KRas (Homo sapiens (Human))	BDBM50517175 (CHEMBL4455193 | US11053226, Example 163) Show SMILES Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)NCc3ccccc3)c2c1 Show InChI InChI=1S/C24H23BrN4O3/c1-2-23(31)29-12-18(13-29)27-22(30)15-28-14-20(19-10-17(25)8-9-21(19)28)24(32)26-11-16-6-4-3-5-7-16/h2-10,14,18H,1,11-13,15H2,(H,26,32)(H,27,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.91E+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))	BDBM50517175 (CHEMBL4455193 | US11053226, Example 163) Show SMILES Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)NCc3ccccc3)c2c1 Show InChI InChI=1S/C24H23BrN4O3/c1-2-23(31)29-12-18(13-29)27-22(30)15-28-14-20(19-10-17(25)8-9-21(19)28)24(32)26-11-16-6-4-3-5-7-16/h2-10,14,18H,1,11-13,15H2,(H,26,32)(H,27,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.42E+4	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))	BDBM50517175 (CHEMBL4455193 | US11053226, Example 163) Show SMILES Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)NCc3ccccc3)c2c1 Show InChI InChI=1S/C24H23BrN4O3/c1-2-23(31)29-12-18(13-29)27-22(30)15-28-14-20(19-10-17(25)8-9-21(19)28)24(32)26-11-16-6-4-3-5-7-16/h2-10,14,18H,1,11-13,15H2,(H,26,32)(H,27,30)	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	>1.00E+5	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