BDBM5775 4-butoxy-5-[(2,4,6-trifluorophenyl)carbonyl]-1H-pyrazolo[3,4-b]pyridine::SQ-67563 Analog 21g::pyrazolo[3,4-b]pyridine deriv.

SMILES: CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(F)cc1F

InChI Key: InChIKey=HEFHQIBQGOCQAF-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 5775   

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 1 (CDK1) (Homo sapiens (Human))	BDBM5775 (4-butoxy-5-[(2,4,6-trifluorophenyl)carbonyl]-1H-py...) Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(F)cc1F Show InChI InChI=1S/C17H14F3N3O2/c1-2-3-4-25-16-10(7-21-17-11(16)8-22-23-17)15(24)14-12(19)5-9(18)6-13(14)20/h5-8H,2-4H2,1H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 13: 2405-8 (2003) Article DOI: 10.1016/s0960-894x(03)00381-0 BindingDB Entry DOI: 10.7270/Q2ZS2TPW
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM5775 (4-butoxy-5-[(2,4,6-trifluorophenyl)carbonyl]-1H-py...) Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(F)cc1F Show InChI InChI=1S/C17H14F3N3O2/c1-2-3-4-25-16-10(7-21-17-11(16)8-22-23-17)15(24)14-12(19)5-9(18)6-13(14)20/h5-8H,2-4H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 13: 2405-8 (2003) Article DOI: 10.1016/s0960-894x(03)00381-0 BindingDB Entry DOI: 10.7270/Q2ZS2TPW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5775 (4-butoxy-5-[(2,4,6-trifluorophenyl)carbonyl]-1H-py...) Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(F)cc1F Show InChI InChI=1S/C17H14F3N3O2/c1-2-3-4-25-16-10(7-21-17-11(16)8-22-23-17)15(24)14-12(19)5-9(18)6-13(14)20/h5-8H,2-4H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Inhibition of CDK2				AAPS J 8: 204-21 (2006) Article DOI: 10.1208/aapsj080125 BindingDB Entry DOI: 10.7270/Q2TX3GBS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM5775 (4-butoxy-5-[(2,4,6-trifluorophenyl)carbonyl]-1H-py...) Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(F)cc1F Show InChI InChI=1S/C17H14F3N3O2/c1-2-3-4-25-16-10(7-21-17-11(16)8-22-23-17)15(24)14-12(19)5-9(18)6-13(14)20/h5-8H,2-4H2,1H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Inhibition of CDK1				AAPS J 8: 204-21 (2006) Article DOI: 10.1208/aapsj080125 BindingDB Entry DOI: 10.7270/Q2TX3GBS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM5775 (4-butoxy-5-[(2,4,6-trifluorophenyl)carbonyl]-1H-py...) Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(F)cc1F Show InChI InChI=1S/C17H14F3N3O2/c1-2-3-4-25-16-10(7-21-17-11(16)8-22-23-17)15(24)14-12(19)5-9(18)6-13(14)20/h5-8H,2-4H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Inhibition of CDK4				AAPS J 8: 204-21 (2006) Article DOI: 10.1208/aapsj080125 BindingDB Entry DOI: 10.7270/Q2TX3GBS
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM5775 (4-butoxy-5-[(2,4,6-trifluorophenyl)carbonyl]-1H-py...) Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(F)cc1F Show InChI InChI=1S/C17H14F3N3O2/c1-2-3-4-25-16-10(7-21-17-11(16)8-22-23-17)15(24)14-12(19)5-9(18)6-13(14)20/h5-8H,2-4H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 13: 2405-8 (2003) Article DOI: 10.1016/s0960-894x(03)00381-0 BindingDB Entry DOI: 10.7270/Q2ZS2TPW
					More data for this Ligand-Target Pair