BDBM50464615 CHEMBL4289350

SMILES: CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1

InChI Key: InChIKey=NSFWLIYQFQEQDW-UHFFFAOYSA-N

Data: 3 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 12 hits for monomerid = 50464615   

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))	BDBM50464615 (CHEMBL4289350 | US11091476, Example 3) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM50464615 (CHEMBL4289350 | US11091476, Example 3) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin-D1 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
CDK6/CycD3 (Homo sapiens (Human))	BDBM50464615 (CHEMBL4289350 | US11091476, Example 3) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK6/Cyclin-D3 (unknown origin) using histoneH1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
CDK1/D2 (Homo sapiens (Human))	BDBM50464615 (CHEMBL4289350 | US11091476, Example 3) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
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CDK6/CycD3 (Homo sapiens (Human))	BDBM50464615 (CHEMBL4289350 | US11091476, Example 3) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	79.1	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PIM (Homo sapiens (Human))	BDBM50464615 (CHEMBL4289350 | US11091476, Example 3) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
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CDK6/CycD3 (Homo sapiens (Human))	BDBM50464615 (CHEMBL4289350 | US11091476, Example 3) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	79.1	n/a	n/a	n/a	n/a	n/a	n/a
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CDK9/D3 (Homo sapiens (Human))	BDBM50464615 (CHEMBL4289350 | US11091476, Example 3) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
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CDK1/D2 (Homo sapiens (Human))	BDBM50464615 (CHEMBL4289350 | US11091476, Example 3) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CDK6/CycD3 (Homo sapiens (Human))	BDBM50464615 (CHEMBL4289350 | US11091476, Example 3) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	79.1	n/a	n/a	n/a	n/a	n/a	n/a
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CDK9/D3 (Homo sapiens (Human))	BDBM50464615 (CHEMBL4289350 | US11091476, Example 3) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
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CDK1/D2 (Homo sapiens (Human))	BDBM50464615 (CHEMBL4289350 | US11091476, Example 3) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
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