BDBM444564 US10662186, Compound 83::US10988476, Compound I-83

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

InChI Key: InChIKey=POTKDJWRAMHALZ-UHFFFAOYSA-N

Data: 17 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 17 hits for monomerid = 444564   

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/Cyclin D3 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceuticals Holding Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...				Eur J Med Chem 178: 352-364 (2019) Article DOI: 10.1016/j.ejmech.2019.06.005
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	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
CDK6/CycD3 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceuticals Holding Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CDK6 (1 to 326 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...				Eur J Med Chem 178: 352-364 (2019) Article DOI: 10.1016/j.ejmech.2019.06.005
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	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	1.08	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 6 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	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	1.55	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 2 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	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	17.4	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 1 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	172	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-like kinase 5 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	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	29	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 7 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38.1	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 9 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	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))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	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	1.08	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))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	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	1.55	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
Protein cereblon/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	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	17.4	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 1 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	172	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-like kinase 5 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	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	29	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 7 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38.1	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 (CDK2) (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceuticals Holding Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CDK2 (1 to 298 residues)/cyclin A2 (1 to 432 residues) expressed in baculovirus exp...				Eur J Med Chem 178: 352-364 (2019) Article DOI: 10.1016/j.ejmech.2019.06.005
					More data for this Ligand-Target Pair