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BDBM50462182 CHEMBL4247506

SMILES: CC(C)n1nc(C#Cc2cccc3cc(ncc23)-c2cccc(c2)C(F)(F)F)c2c(N)ncnc12

InChI Key: InChIKey=OFBWCZMTFNTSHE-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50462182
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50462182 (CHEMBL4247506) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	942	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of BCR-ABL (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell proliferation incubated for 48 hrs by MTT assay				Eur J Med Chem 146: 519-528 (2018) Article DOI: 10.1016/j.ejmech.2018.01.053 BindingDB Entry DOI: 10.7270/Q23N261S
University of Southern California Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50462182 (CHEMBL4247506) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant in human A375 cells assessed as reduction in cell proliferation incubated for 96 hrs by MTT assay				Eur J Med Chem 146: 519-528 (2018) Article DOI: 10.1016/j.ejmech.2018.01.053 BindingDB Entry DOI: 10.7270/Q23N261S
University of Southern California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50462182 (CHEMBL4247506) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of ABL (unknown origin) by phosphocellulose paper disk assay				Eur J Med Chem 146: 519-528 (2018) Article DOI: 10.1016/j.ejmech.2018.01.053 BindingDB Entry DOI: 10.7270/Q23N261S
University of Southern California Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50462182 (CHEMBL4247506) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant (unknown origin) after 20 mins by immunoblotting assay				Eur J Med Chem 146: 519-528 (2018) Article DOI: 10.1016/j.ejmech.2018.01.053 BindingDB Entry DOI: 10.7270/Q23N261S
University of Southern California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50462182 (CHEMBL4247506) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged BRAF V600E mutant (unknown origin) expressed in HEK293 cells assessed as decrease in MEK phosphorylation by imm...				Eur J Med Chem 146: 519-528 (2018) Article DOI: 10.1016/j.ejmech.2018.01.053 BindingDB Entry DOI: 10.7270/Q23N261S
University of Southern California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)