Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50013622   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568111 (CHEMBL4878141 | US11851436, Compound A1-12) Show SMILES COC(=O)CCc1ccc(cc1)-n1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12 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	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568106 (CHEMBL4849660 | US11851436, Compound A1-4) Show SMILES Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(CCN5CCOCC5)cc4)c3n2)cc1F 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	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568112 (CHEMBL4851452) Show SMILES COC(=O)CCCc1ccc(cc1)-n1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12 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	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM25017 (2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...) Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568105 (CHEMBL4858455 | US11851436, Compound A1-3) Show SMILES Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(cc4)N4CCOCC4)c3n2)cc1F 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	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568114 (CHEMBL4857399) Show SMILES Oc1c(F)cc(Nc2ncc3ccn(-c4ccc(cc4)N4CCOCC4)c3n2)cc1F 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	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568115 (CHEMBL4864190) Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1ccc2cnc(Nc3cc(F)c(O)c(F)c3)nc12 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	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568104 (CHEMBL4858257 | US11851436, Compound A1-2) Show SMILES CC(C)CCn1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12 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	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568109 (CHEMBL4861235 | US11851436, Compound A1-10) Show SMILES Oc1cccc(c1)-n1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12 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	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568110 (CHEMBL4865383 | US11851436, Compound A1-11) Show SMILES Oc1ccc(cc1)-n1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12 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	82	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568113 (CHEMBL4873445) Show SMILES CC(C)CCn1ccc2cnc(Nc3cc(F)c(O)c(F)c3)nc12 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	96	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568108 (CHEMBL4860957 | US11851436, Compound A1-7) Show SMILES Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(Oc5ccccc5)cc4)c3n2)cc1F 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	148	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568107 (CHEMBL4845736 | US11851436, Compound A1-6) Show SMILES Oc1c(F)cc(Nc2ncc3ncn(-c4cccc(Oc5ccccc5)c4)c3n2)cc1F 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	329	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568114 (CHEMBL4857399) Show SMILES Oc1c(F)cc(Nc2ncc3ccn(-c4ccc(cc4)N4CCOCC4)c3n2)cc1F 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	n/a	n/a	230	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568113 (CHEMBL4873445) Show SMILES CC(C)CCn1ccc2cnc(Nc3cc(F)c(O)c(F)c3)nc12 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	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568112 (CHEMBL4851452) Show SMILES COC(=O)CCCc1ccc(cc1)-n1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12 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	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568106 (CHEMBL4849660 | US11851436, Compound A1-4) Show SMILES Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(CCN5CCOCC5)cc4)c3n2)cc1F 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	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568104 (CHEMBL4858257 | US11851436, Compound A1-2) Show SMILES CC(C)CCn1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12 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	n/a	n/a	970	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50568115 (CHEMBL4864190) Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1ccc2cnc(Nc3cc(F)c(O)c(F)c3)nc12 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	n/a	n/a	70	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM25017 (2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...) Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB
					More data for this Ligand-Target Pair				3D Structure (crystal)