BDBM163698 5-((2-Methyl-5-((3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl)carbamoyl)phenyl)amino)nicotinamide (3)

SMILES: CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3cncc(c3)C(N)=O)c2)cc(c1)C(F)(F)F

InChI Key: InChIKey=UYMHKSOBTXSBFR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 163698   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM163698 (5-((2-Methyl-5-((3-(4-methylpiperazin-1-yl)-5-(tri...) Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3cncc(c3)C(N)=O)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H27F3N6O2/c1-16-3-4-17(10-23(16)32-21-9-18(24(30)36)14-31-15-21)25(37)33-20-11-19(26(27,28)29)12-22(13-20)35-7-5-34(2)6-8-35/h3-4,9-15,32H,5-8H2,1-2H3,(H2,30,36)(H,33,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.				ACS Chem Biol 10: 2687-96 (2015) Article DOI: 10.1021/acschembio.5b00655 BindingDB Entry DOI: 10.7270/Q2SX6BZ1
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM163698 (5-((2-Methyl-5-((3-(4-methylpiperazin-1-yl)-5-(tri...) Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3cncc(c3)C(N)=O)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H27F3N6O2/c1-16-3-4-17(10-23(16)32-21-9-18(24(30)36)14-31-15-21)25(37)33-20-11-19(26(27,28)29)12-22(13-20)35-7-5-34(2)6-8-35/h3-4,9-15,32H,5-8H2,1-2H3,(H2,30,36)(H,33,37)	PDB MMDB 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	22	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.				ACS Chem Biol 10: 2687-96 (2015) Article DOI: 10.1021/acschembio.5b00655 BindingDB Entry DOI: 10.7270/Q2SX6BZ1
					More data for this Ligand-Target Pair