BDBM50469203 CHEMBL4289810

SMILES: CN1CCN(CCNc2nccc(n2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)CC1

InChI Key: InChIKey=CZUGFURKAUPQAE-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50469203   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50469203 (CHEMBL4289810) Show SMILES CN1CCN(CCNc2nccc(n2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)CC1 Show InChI InChI=1S/C30H33ClF3N7O2/c1-19-3-4-20(26(42)37-21-5-6-22(23(31)18-21)30(32,33)34)17-24(19)38-27(43)29(8-9-29)25-7-10-35-28(39-25)36-11-12-41-15-13-40(2)14-16-41/h3-7,10,17-18H,8-9,11-16H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Science & Technology (UST) Curated by ChEMBL					Assay Description Inhibition of BRAF (unknown origin) using full length His6-tagged MEK1 as substrate after 20 mins in presence of 33P-gamma-ATP by hotspot kinase assa...				Eur J Med Chem 158: 144-166 (2018) Article DOI: 10.1016/j.ejmech.2018.09.005 BindingDB Entry DOI: 10.7270/Q208682V
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50469203 (CHEMBL4289810) Show SMILES CN1CCN(CCNc2nccc(n2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)CC1 Show InChI InChI=1S/C30H33ClF3N7O2/c1-19-3-4-20(26(42)37-21-5-6-22(23(31)18-21)30(32,33)34)17-24(19)38-27(43)29(8-9-29)25-7-10-35-28(39-25)36-11-12-41-15-13-40(2)14-16-41/h3-7,10,17-18H,8-9,11-16H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Science & Technology (UST) Curated by ChEMBL					Assay Description Inhibition of CRAF (unknown origin) after 20 mins in presence of 33P-gamma-ATP by hotspot kinase assay				Eur J Med Chem 158: 144-166 (2018) Article DOI: 10.1016/j.ejmech.2018.09.005 BindingDB Entry DOI: 10.7270/Q208682V
					More data for this Ligand-Target Pair
RAF serine/threonine protein kinase (Homo sapiens (Human))	BDBM50469203 (CHEMBL4289810) Show SMILES CN1CCN(CCNc2nccc(n2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)CC1 Show InChI InChI=1S/C30H33ClF3N7O2/c1-19-3-4-20(26(42)37-21-5-6-22(23(31)18-21)30(32,33)34)17-24(19)38-27(43)29(8-9-29)25-7-10-35-28(39-25)36-11-12-41-15-13-40(2)14-16-41/h3-7,10,17-18H,8-9,11-16H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Science & Technology (UST) Curated by ChEMBL					Assay Description Inhibition of ARAF (unknown origin) after 20 mins in presence of 33P-gamma-ATP by hotspot kinase				Eur J Med Chem 158: 144-166 (2018) Article DOI: 10.1016/j.ejmech.2018.09.005 BindingDB Entry DOI: 10.7270/Q208682V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50469203 (CHEMBL4289810) Show SMILES CN1CCN(CCNc2nccc(n2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)CC1 Show InChI InChI=1S/C30H33ClF3N7O2/c1-19-3-4-20(26(42)37-21-5-6-22(23(31)18-21)30(32,33)34)17-24(19)38-27(43)29(8-9-29)25-7-10-35-28(39-25)36-11-12-41-15-13-40(2)14-16-41/h3-7,10,17-18H,8-9,11-16H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Science & Technology (UST) Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant (unknown origin)				Eur J Med Chem 158: 144-166 (2018) Article DOI: 10.1016/j.ejmech.2018.09.005 BindingDB Entry DOI: 10.7270/Q208682V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50469203 (CHEMBL4289810) Show SMILES CN1CCN(CCNc2nccc(n2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)CC1 Show InChI InChI=1S/C30H33ClF3N7O2/c1-19-3-4-20(26(42)37-21-5-6-22(23(31)18-21)30(32,33)34)17-24(19)38-27(43)29(8-9-29)25-7-10-35-28(39-25)36-11-12-41-15-13-40(2)14-16-41/h3-7,10,17-18H,8-9,11-16H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Science & Technology (UST) Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged BRAF V600E mutant (AA416 to 766 residues (unknown origin) using full length His6-tagged MEK1 as substrate ...				Eur J Med Chem 158: 144-166 (2018) Article DOI: 10.1016/j.ejmech.2018.09.005 BindingDB Entry DOI: 10.7270/Q208682V
					More data for this Ligand-Target Pair