null

SMILES: COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 354126   

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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM354126 (US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...) Show SMILES COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...				US Patent US9796708 (2017) BindingDB Entry DOI: 10.7270/Q2WD42P4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM354126 (US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...) Show SMILES COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9 (unknown origin) using Ulight-labeled substrate by TR-FRET LANCE method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00744 BindingDB Entry DOI: 10.7270/Q2FB56K3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM354126 (US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...) Show SMILES COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK4 (unknown origin) using Ulight-labeled substrate by TR-FRET LANCE method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00744 BindingDB Entry DOI: 10.7270/Q2FB56K3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM354126 (US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...) Show SMILES COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK6 (unknown origin) using Ulight-labeled substrate by TR-FRET LANCE method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00744 BindingDB Entry DOI: 10.7270/Q2FB56K3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM354126 (US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...) Show SMILES COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9 in human A-431 cells assessed as reduction in RNA polymerase2 phosphorylation at C-terminal ser2 residue incubated for 4 hrs by In...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00161 BindingDB Entry DOI: 10.7270/Q2HM5D8X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM354126 (US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...) Show SMILES COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK2 (unknown origin) using Ulight-labeled substrate by TR-FRET LANCE method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00744 BindingDB Entry DOI: 10.7270/Q2FB56K3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM354126 (US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...) Show SMILES COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK7 (unknown origin) using Ulight-labeled substrate by TR-FRET LANCE method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00744 BindingDB Entry DOI: 10.7270/Q2FB56K3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM354126 (US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...) Show SMILES COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK8 (unknown origin) by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00744 BindingDB Entry DOI: 10.7270/Q2FB56K3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM354126 (US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...) Show SMILES COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9 (unknown origin) using Ulight-labeled substrate measured after 1.5 hrs by TR-FRET LANCE method				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00161 BindingDB Entry DOI: 10.7270/Q2HM5D8X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM354126 (US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...) Show SMILES COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK1 (unknown origin) using Ulight-labeled substrate by TR-FRET LANCE method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00744 BindingDB Entry DOI: 10.7270/Q2FB56K3
					More data for this Ligand-Target Pair