BDBM50436053 CHEMBL2396992

SMILES: Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCN

InChI Key: InChIKey=JCTJISIFGZHOFY-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50436053   

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))	BDBM50436053 (CHEMBL2396992) Show SMILES Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCN Show InChI InChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of KRas (unknown origin) by nucleotide release assay				Bioorg Med Chem Lett 25: 2461-8 (2015) Article DOI: 10.1016/j.bmcl.2015.04.089 BindingDB Entry DOI: 10.7270/Q2SF2XVC
					More data for this Ligand-Target Pair				3D Structure (crystal)
GTPase KRas (Homo sapiens (Human))	BDBM50436053 (CHEMBL2396992) Show SMILES Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCN Show InChI InChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of full-length human KRas4B (amino acids 1 to 188)-SOS interaction assessed as inhibition of nucleotide exchange activity				J Med Chem 56: 5219-30 (2014) Article DOI: 10.1021/jm3017706 BindingDB Entry DOI: 10.7270/Q2GB25F2
					More data for this Ligand-Target Pair				3D Structure (crystal)
GTPase KRas (Homo sapiens (Human))	BDBM50436053 (CHEMBL2396992) Show SMILES Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCN Show InChI InChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of full-length human KRas4B (amino acids 1 to 188)-SOS interaction assessed as inhibition of SOS-mediated nucleotide release activity				J Med Chem 56: 5219-30 (2014) Article DOI: 10.1021/jm3017706 BindingDB Entry DOI: 10.7270/Q2GB25F2
					More data for this Ligand-Target Pair				3D Structure (crystal)