BDBM317465 4-(4-(cyclopentyloxy)-5-(4- (methylcarbamoyl)phenyl)-7H- pyrrolo[2,3-d]pyrimidin-2- ylamino)-3-methoxy-N- methylbenzamide::US9623028, Compound 79

SMILES: CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12

InChI Key: InChIKey=YMYOREROCXXANC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 317465   

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))	BDBM317465 (4-(4-(cyclopentyloxy)-5-(4- (methylcarbamoyl)pheny...) Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12 Show InChI InChI=1S/C28H30N6O4/c1-29-25(35)17-10-8-16(9-11-17)20-15-31-24-23(20)27(38-19-6-4-5-7-19)34-28(33-24)32-21-13-12-18(26(36)30-2)14-22(21)37-3/h8-15,19H,4-7H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2.38	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
CaM-kinase kinase beta (Homo sapiens (Human))	BDBM317465 (4-(4-(cyclopentyloxy)-5-(4- (methylcarbamoyl)pheny...) Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12 Show InChI InChI=1S/C28H30N6O4/c1-29-25(35)17-10-8-16(9-11-17)20-15-31-24-23(20)27(38-19-6-4-5-7-19)34-28(33-24)32-21-13-12-18(26(36)30-2)14-22(21)37-3/h8-15,19H,4-7H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	34	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))	BDBM317465 (4-(4-(cyclopentyloxy)-5-(4- (methylcarbamoyl)pheny...) Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12 Show InChI InChI=1S/C28H30N6O4/c1-29-25(35)17-10-8-16(9-11-17)20-15-31-24-23(20)27(38-19-6-4-5-7-19)34-28(33-24)32-21-13-12-18(26(36)30-2)14-22(21)37-3/h8-15,19H,4-7H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.91	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 specificty protein kinase CLK1 (Homo sapiens (Human))	BDBM317465 (4-(4-(cyclopentyloxy)-5-(4- (methylcarbamoyl)pheny...) Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12 Show InChI InChI=1S/C28H30N6O4/c1-29-25(35)17-10-8-16(9-11-17)20-15-31-24-23(20)27(38-19-6-4-5-7-19)34-28(33-24)32-21-13-12-18(26(36)30-2)14-22(21)37-3/h8-15,19H,4-7H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	58.6	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