BDBM50139154 CHEMBL3765074

SMILES: FC(F)(F)c1cc(cc(c1)-c1cc[nH]n1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1

InChI Key: InChIKey=QPMHNEWPHATGSK-OAQYLSRUSA-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 = 50139154   

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)	BDBM50139154 (CHEMBL3765074) Show SMILES FC(F)(F)c1cc(cc(c1)-c1cc[nH]n1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H24F3N5O3/c30-29(31,32)20-12-18(24-7-10-34-37-24)11-19(13-20)28(39)35-21-3-1-16-2-4-22(15-17(16)14-21)40-25-8-9-33-27-23(25)5-6-26(38)36-27/h2,4,7-13,15,21H,1,3,5-6,14H2,(H,34,37)(H,35,39)(H,33,36,38)/t21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.30E+4	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))	BDBM50139154 (CHEMBL3765074) Show SMILES FC(F)(F)c1cc(cc(c1)-c1cc[nH]n1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H24F3N5O3/c30-29(31,32)20-12-18(24-7-10-34-37-24)11-19(13-20)28(39)35-21-3-1-16-2-4-22(15-17(16)14-21)40-25-8-9-33-27-23(25)5-6-26(38)36-27/h2,4,7-13,15,21H,1,3,5-6,14H2,(H,34,37)(H,35,39)(H,33,36,38)/t21-/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	121	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 CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide 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))	BDBM50139154 (CHEMBL3765074) Show SMILES FC(F)(F)c1cc(cc(c1)-c1cc[nH]n1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H24F3N5O3/c30-29(31,32)20-12-18(24-7-10-34-37-24)11-19(13-20)28(39)35-21-3-1-16-2-4-22(15-17(16)14-21)40-25-8-9-33-27-23(25)5-6-26(38)36-27/h2,4,7-13,15,21H,1,3,5-6,14H2,(H,34,37)(H,35,39)(H,33,36,38)/t21-/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	9.5	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) 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