BDBM253912 US9464092, D::US9527857, D

SMILES: CN1CCN(CC1(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1

InChI Key: InChIKey=LDJNLOZYHRVQME-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 253912   

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 (CDK4) (Homo sapiens (Human))	BDBM253912 (US9464092, D | US9527857, D) Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 Show InChI InChI=1S/C26H34N8O/c1-25(2)17-33(12-11-32(25)3)19-7-8-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(9-5-4-6-10-26)34(20)22(18)31-24/h7-8,13-15H,4-6,9-12,16-17H2,1-3H3,(H,29,35)(H,27,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....				US Patent US9464092 (2016) BindingDB Entry DOI: 10.7270/Q28C9V5W
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM253912 (US9464092, D | US9527857, D) Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 Show InChI InChI=1S/C26H34N8O/c1-25(2)17-33(12-11-32(25)3)19-7-8-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(9-5-4-6-10-26)34(20)22(18)31-24/h7-8,13-15H,4-6,9-12,16-17H2,1-3H3,(H,29,35)(H,27,28,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....				US Patent US9464092 (2016) BindingDB Entry DOI: 10.7270/Q28C9V5W
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM253912 (US9464092, D | US9527857, D) Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 Show InChI InChI=1S/C26H34N8O/c1-25(2)17-33(12-11-32(25)3)19-7-8-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(9-5-4-6-10-26)34(20)22(18)31-24/h7-8,13-15H,4-6,9-12,16-17H2,1-3H3,(H,29,35)(H,27,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....				US Patent US9464092 (2016) BindingDB Entry DOI: 10.7270/Q28C9V5W
					More data for this Ligand-Target Pair
CDK2/Cyclin A1 (Homo sapiens (Human))	BDBM253912 (US9464092, D | US9527857, D) Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 Show InChI InChI=1S/C26H34N8O/c1-25(2)17-33(12-11-32(25)3)19-7-8-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(9-5-4-6-10-26)34(20)22(18)31-24/h7-8,13-15H,4-6,9-12,16-17H2,1-3H3,(H,29,35)(H,27,28,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2CN72V8
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM253912 (US9464092, D | US9527857, D) Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 Show InChI InChI=1S/C26H34N8O/c1-25(2)17-33(12-11-32(25)3)19-7-8-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(9-5-4-6-10-26)34(20)22(18)31-24/h7-8,13-15H,4-6,9-12,16-17H2,1-3H3,(H,29,35)(H,27,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2MK6B2C
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM253912 (US9464092, D | US9527857, D) Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 Show InChI InChI=1S/C26H34N8O/c1-25(2)17-33(12-11-32(25)3)19-7-8-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(9-5-4-6-10-26)34(20)22(18)31-24/h7-8,13-15H,4-6,9-12,16-17H2,1-3H3,(H,29,35)(H,27,28,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2CN72V8
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM253912 (US9464092, D | US9527857, D) Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 Show InChI InChI=1S/C26H34N8O/c1-25(2)17-33(12-11-32(25)3)19-7-8-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(9-5-4-6-10-26)34(20)22(18)31-24/h7-8,13-15H,4-6,9-12,16-17H2,1-3H3,(H,29,35)(H,27,28,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2MK6B2C
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM253912 (US9464092, D | US9527857, D) Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 Show InChI InChI=1S/C26H34N8O/c1-25(2)17-33(12-11-32(25)3)19-7-8-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(9-5-4-6-10-26)34(20)22(18)31-24/h7-8,13-15H,4-6,9-12,16-17H2,1-3H3,(H,29,35)(H,27,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2MK6B2C
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM253912 (US9464092, D | US9527857, D) Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 Show InChI InChI=1S/C26H34N8O/c1-25(2)17-33(12-11-32(25)3)19-7-8-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(9-5-4-6-10-26)34(20)22(18)31-24/h7-8,13-15H,4-6,9-12,16-17H2,1-3H3,(H,29,35)(H,27,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
GI Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...				US Patent US9527857 (2016) BindingDB Entry DOI: 10.7270/Q2CN72V8
					More data for this Ligand-Target Pair