BDBM112497 US8623885, 18b

SMILES: C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(C[C@H](C)c4n3)C(C)=O)nc12

InChI Key: InChIKey=YQUHLIQEGXFNCX-ZWOKBUDYSA-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 = 112497   

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
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM112497 (US8623885, 18b) Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(C[C@H](C)c4n3)C(C)=O)nc12 |r,wU:4.7,wD:1.0,26.28,(4.8,-11.87,;4.4,-10.38,;5.49,-9.29,;5.09,-7.81,;3.6,-7.41,;2.51,-8.5,;2.91,-9.98,;3.2,-5.92,;4.11,-4.67,;5.64,-4.51,;6.26,-3.11,;5.36,-1.86,;3.83,-2.02,;3.2,-3.43,;1.74,-3.9,;.4,-3.13,;-.93,-3.9,;-.93,-5.44,;-2.26,-6.21,;-2.26,-7.75,;-.93,-8.52,;-.93,-10.06,;-2.26,-10.83,;-2.26,-12.37,;-3.6,-13.14,;-4.93,-12.37,;-4.93,-10.83,;-6.26,-10.06,;-3.6,-10.06,;-3.6,-8.52,;-3.6,-14.68,;-2.26,-15.45,;-4.93,-15.45,;.4,-6.21,;1.74,-5.44,)| Show InChI InChI=1S/C27H31N7O/c1-16-4-7-20(8-5-16)34-23-13-28-11-10-21(23)22-12-29-27(32-26(22)34)31-24-9-6-19-15-33(18(3)35)14-17(2)25(19)30-24/h6,9-13,16-17,20H,4-5,7-8,14-15H2,1-3H3,(H,29,30,31,32)/t16-,17-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	463	n/a	n/a	n/a	n/a	7.4	n/a
Amgen Inc. US Patent					Assay Description The CDK4 and CDK1 inhibitory activity of the CDK4/6-FLT3 inhibitors was determined with a filtration kinase assay. The compounds, kinase and substrat...				US Patent US8623885 (2014) BindingDB Entry DOI: 10.7270/Q2DZ06Z1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM112497 (US8623885, 18b) Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(C[C@H](C)c4n3)C(C)=O)nc12 |r,wU:4.7,wD:1.0,26.28,(4.8,-11.87,;4.4,-10.38,;5.49,-9.29,;5.09,-7.81,;3.6,-7.41,;2.51,-8.5,;2.91,-9.98,;3.2,-5.92,;4.11,-4.67,;5.64,-4.51,;6.26,-3.11,;5.36,-1.86,;3.83,-2.02,;3.2,-3.43,;1.74,-3.9,;.4,-3.13,;-.93,-3.9,;-.93,-5.44,;-2.26,-6.21,;-2.26,-7.75,;-.93,-8.52,;-.93,-10.06,;-2.26,-10.83,;-2.26,-12.37,;-3.6,-13.14,;-4.93,-12.37,;-4.93,-10.83,;-6.26,-10.06,;-3.6,-10.06,;-3.6,-8.52,;-3.6,-14.68,;-2.26,-15.45,;-4.93,-15.45,;.4,-6.21,;1.74,-5.44,)| Show InChI InChI=1S/C27H31N7O/c1-16-4-7-20(8-5-16)34-23-13-28-11-10-21(23)22-12-29-27(32-26(22)34)31-24-9-6-19-15-33(18(3)35)14-17(2)25(19)30-24/h6,9-13,16-17,20H,4-5,7-8,14-15H2,1-3H3,(H,29,30,31,32)/t16-,17-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.6	n/a
Amgen Inc. US Patent					Assay Description The FLT3 inhibitory activity of the CDK4/6-FLT3 inhibitors was determined with a HTRF kinase assay. The FLT3 enzyme (GST-FLT3 fusion) was purchased f...				US Patent US8623885 (2014) BindingDB Entry DOI: 10.7270/Q2DZ06Z1
					More data for this Ligand-Target Pair