BDBM50458036 CHEMBL4207796::US10662186, Compound comparative F::US10988476, comparative example F

SMILES: CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F

InChI Key: InChIKey=GZAGBRPFBCDRDL-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50458036   

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
CDK4/E1 (Homo sapiens (Human))	BDBM50458036 (CHEMBL4207796 | US10662186, Compound comparative F...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F Show InChI InChI=1S/C25H26F3N7/c1-14(2)35-15(3)30-24-18(27)10-17(11-21(24)35)23-19(28)12-29-25(33-23)32-22-5-4-16-13-34(9-7-26)8-6-20(16)31-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,29,31,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai HaiHe Pharmaceutical, Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay				Eur J Med Chem 148: 140-153 (2018) Article DOI: 10.1016/j.ejmech.2018.02.022 BindingDB Entry DOI: 10.7270/Q2154KNQ
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50458036 (CHEMBL4207796 | US10662186, Compound comparative F...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F Show InChI InChI=1S/C25H26F3N7/c1-14(2)35-15(3)30-24-18(27)10-17(11-21(24)35)23-19(28)12-29-25(33-23)32-22-5-4-16-13-34(9-7-26)8-6-20(16)31-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,29,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai HaiHe Pharmaceutical, Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human CDK1/Cyclin-B using ULight-substrate after 1 hr by LANCE assay				Eur J Med Chem 148: 140-153 (2018) Article DOI: 10.1016/j.ejmech.2018.02.022 BindingDB Entry DOI: 10.7270/Q2154KNQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50458036 (CHEMBL4207796 | US10662186, Compound comparative F...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F Show InChI InChI=1S/C25H26F3N7/c1-14(2)35-15(3)30-24-18(27)10-17(11-21(24)35)23-19(28)12-29-25(33-23)32-22-5-4-16-13-34(9-7-26)8-6-20(16)31-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.72	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020)
					More data for this Ligand-Target Pair
Protein cereblon/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50458036 (CHEMBL4207796 | US10662186, Compound comparative F...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F Show InChI InChI=1S/C25H26F3N7/c1-14(2)35-15(3)30-24-18(27)10-17(11-21(24)35)23-19(28)12-29-25(33-23)32-22-5-4-16-13-34(9-7-26)8-6-20(16)31-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.5	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50458036 (CHEMBL4207796 | US10662186, Compound comparative F...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F Show InChI InChI=1S/C25H26F3N7/c1-14(2)35-15(3)30-24-18(27)10-17(11-21(24)35)23-19(28)12-29-25(33-23)32-22-5-4-16-13-34(9-7-26)8-6-20(16)31-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.5	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50458036 (CHEMBL4207796 | US10662186, Compound comparative F...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F Show InChI InChI=1S/C25H26F3N7/c1-14(2)35-15(3)30-24-18(27)10-17(11-21(24)35)23-19(28)12-29-25(33-23)32-22-5-4-16-13-34(9-7-26)8-6-20(16)31-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.72	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50458036 (CHEMBL4207796 | US10662186, Compound comparative F...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F Show InChI InChI=1S/C25H26F3N7/c1-14(2)35-15(3)30-24-18(27)10-17(11-21(24)35)23-19(28)12-29-25(33-23)32-22-5-4-16-13-34(9-7-26)8-6-20(16)31-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.67	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50458036 (CHEMBL4207796 | US10662186, Compound comparative F...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F Show InChI InChI=1S/C25H26F3N7/c1-14(2)35-15(3)30-24-18(27)10-17(11-21(24)35)23-19(28)12-29-25(33-23)32-22-5-4-16-13-34(9-7-26)8-6-20(16)31-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.67	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020)
					More data for this Ligand-Target Pair