BDBM50517189 CHEMBL4573277

SMILES: COc1cccc2CN(CCc12)C(=O)c1c(C)n(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Cl)cc12

InChI Key: InChIKey=QGKUIZBLZNWAAC-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 = 50517189   

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))	BDBM50517189 (CHEMBL4573277 | US11053226, Example 41) Show SMILES COc1cccc2CN(CCc12)C(=O)c1c(C)n(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Cl)cc12 Show InChI InChI=1S/C28H29ClN4O4/c1-4-26(35)32-14-20(15-32)30-25(34)16-33-17(2)27(22-12-19(29)8-9-23(22)33)28(36)31-11-10-21-18(13-31)6-5-7-24(21)37-3/h4-9,12,20H,1,10-11,13-16H2,2-3H3,(H,30,34)	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	369	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))	BDBM50517189 (CHEMBL4573277 | US11053226, Example 41) Show SMILES COc1cccc2CN(CCc12)C(=O)c1c(C)n(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Cl)cc12 Show InChI InChI=1S/C28H29ClN4O4/c1-4-26(35)32-14-20(15-32)30-25(34)16-33-17(2)27(22-12-19(29)8-9-23(22)33)28(36)31-11-10-21-18(13-31)6-5-7-24(21)37-3/h4-9,12,20H,1,10-11,13-16H2,2-3H3,(H,30,34)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	120	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))	BDBM50517189 (CHEMBL4573277 | US11053226, Example 41) Show SMILES COc1cccc2CN(CCc12)C(=O)c1c(C)n(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Cl)cc12 Show InChI InChI=1S/C28H29ClN4O4/c1-4-26(35)32-14-20(15-32)30-25(34)16-33-17(2)27(22-12-19(29)8-9-23(22)33)28(36)31-11-10-21-18(13-31)6-5-7-24(21)37-3/h4-9,12,20H,1,10-11,13-16H2,2-3H3,(H,30,34)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	370	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))	BDBM50517189 (CHEMBL4573277 | US11053226, Example 41) Show SMILES COc1cccc2CN(CCc12)C(=O)c1c(C)n(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Cl)cc12 Show InChI InChI=1S/C28H29ClN4O4/c1-4-26(35)32-14-20(15-32)30-25(34)16-33-17(2)27(22-12-19(29)8-9-23(22)33)28(36)31-11-10-21-18(13-31)6-5-7-24(21)37-3/h4-9,12,20H,1,10-11,13-16H2,2-3H3,(H,30,34)	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	3.55E+3	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