BDBM50264716 CHEMBL4087837

SMILES: CN(C)CCCNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F

InChI Key: InChIKey=UZPXHYLFKLVCPZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50264716   

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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50264716 (CHEMBL4087837) Show SMILES CN(C)CCCNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H30ClF3N6O2/c1-17-5-6-18(25(39)36-19-7-8-21(29)20(14-19)28(30,31)32)13-22(17)37-26(40)27(9-10-27)23-15-24(35-16-34-23)33-11-4-12-38(2)3/h5-8,13-16H,4,9-12H2,1-3H3,(H,36,39)(H,37,40)(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...				Eur J Med Chem 130: 86-106 (2017) Article DOI: 10.1016/j.ejmech.2017.02.041 BindingDB Entry DOI: 10.7270/Q2DN47JG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50264716 (CHEMBL4087837) Show SMILES CN(C)CCCNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H30ClF3N6O2/c1-17-5-6-18(25(39)36-19-7-8-21(29)20(14-19)28(30,31)32)13-22(17)37-26(40)27(9-10-27)23-15-24(35-16-34-23)33-11-4-12-38(2)3/h5-8,13-16H,4,9-12H2,1-3H3,(H,36,39)(H,37,40)(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...				Eur J Med Chem 130: 86-106 (2017) Article DOI: 10.1016/j.ejmech.2017.02.041 BindingDB Entry DOI: 10.7270/Q2DN47JG
					More data for this Ligand-Target Pair
RAF serine/threonine protein kinase (Homo sapiens (Human))	BDBM50264716 (CHEMBL4087837) Show SMILES CN(C)CCCNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H30ClF3N6O2/c1-17-5-6-18(25(39)36-19-7-8-21(29)20(14-19)28(30,31)32)13-22(17)37-26(40)27(9-10-27)23-15-24(35-16-34-23)33-11-4-12-38(2)3/h5-8,13-16H,4,9-12H2,1-3H3,(H,36,39)(H,37,40)(H,33,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...				Eur J Med Chem 130: 86-106 (2017) Article DOI: 10.1016/j.ejmech.2017.02.041 BindingDB Entry DOI: 10.7270/Q2DN47JG
					More data for this Ligand-Target Pair