BDBM317475 3-cyano-N-methyl-4-(5-(2- methylbenzo[d]oxazol-6-yl)-4- (tetrahydro-2H-pyran-4-yloxy)- 7H-pyrrolo[2,3-d]pyrimidin-2- ylamino)benzamide::US9623028, Compound 171

SMILES: CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(c1)C#N

InChI Key: InChIKey=CCGBGSFDXIBQHC-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 = 317475   

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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM317475 (3-cyano-N-methyl-4-(5-(2- methylbenzo[d]oxazol-6-y...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(c1)C#N Show InChI InChI=1S/C28H25N7O4/c1-15-32-22-6-3-16(12-23(22)38-15)20-14-31-25-24(20)27(39-19-7-9-37-10-8-19)35-28(34-25)33-21-5-4-17(26(36)30-2)11-18(21)13-29/h3-6,11-12,14,19H,7-10H2,1-2H3,(H,30,36)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.47	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, LLC US Patent					Assay Description The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...				US Patent US9623028 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34R8
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM317475 (3-cyano-N-methyl-4-(5-(2- methylbenzo[d]oxazol-6-y...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(c1)C#N Show InChI InChI=1S/C28H25N7O4/c1-15-32-22-6-3-16(12-23(22)38-15)20-14-31-25-24(20)27(39-19-7-9-37-10-8-19)35-28(34-25)33-21-5-4-17(26(36)30-2)11-18(21)13-29/h3-6,11-12,14,19H,7-10H2,1-2H3,(H,30,36)(H2,31,33,34,35)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.32	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, LLC US Patent					Assay Description The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...				US Patent US9623028 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34R8
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM317475 (3-cyano-N-methyl-4-(5-(2- methylbenzo[d]oxazol-6-y...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(c1)C#N Show InChI InChI=1S/C28H25N7O4/c1-15-32-22-6-3-16(12-23(22)38-15)20-14-31-25-24(20)27(39-19-7-9-37-10-8-19)35-28(34-25)33-21-5-4-17(26(36)30-2)11-18(21)13-29/h3-6,11-12,14,19H,7-10H2,1-2H3,(H,30,36)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	82.8	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, LLC US Patent					Assay Description The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...				US Patent US9623028 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34R8
					More data for this Ligand-Target Pair