BDBM50139158 CHEMBL3763646

SMILES: Cl.Cn1cc(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1

InChI Key: InChIKey=BTMLMFGWUXYUEE-GNAFDRTKSA-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 = 50139158   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50139158 (CHEMBL3763646) Show SMILES Cl.Cn1cc(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C30H26F3N5O3.ClH/c1-38-16-21(15-35-38)18-10-20(12-22(11-18)30(31,32)33)29(40)36-23-4-2-17-3-5-24(14-19(17)13-23)41-26-8-9-34-28-25(26)6-7-27(39)37-28;/h3,5,8-12,14-16,23H,2,4,6-7,13H2,1H3,(H,36,40)(H,34,37,39);1H/t23-;/m1./s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States. Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 26: 1156-60 (2016) BindingDB Entry DOI: 10.7270/Q29P33HD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50139158 (CHEMBL3763646) Show SMILES Cl.Cn1cc(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C30H26F3N5O3.ClH/c1-38-16-21(15-35-38)18-10-20(12-22(11-18)30(31,32)33)29(40)36-23-4-2-17-3-5-24(14-19(17)13-23)41-26-8-9-34-28-25(26)6-7-27(39)37-28;/h3,5,8-12,14-16,23H,2,4,6-7,13H2,1H3,(H,36,40)(H,34,37,39);1H/t23-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States. Curated by ChEMBL					Assay Description Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP				Bioorg Med Chem Lett 26: 1156-60 (2016) BindingDB Entry DOI: 10.7270/Q29P33HD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50139158 (CHEMBL3763646) Show SMILES Cl.Cn1cc(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C30H26F3N5O3.ClH/c1-38-16-21(15-35-38)18-10-20(12-22(11-18)30(31,32)33)29(40)36-23-4-2-17-3-5-24(14-19(17)13-23)41-26-8-9-34-28-25(26)6-7-27(39)37-28;/h3,5,8-12,14-16,23H,2,4,6-7,13H2,1H3,(H,36,40)(H,34,37,39);1H/t23-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States. Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Bioorg Med Chem Lett 26: 1156-60 (2016) BindingDB Entry DOI: 10.7270/Q29P33HD
					More data for this Ligand-Target Pair