Compile Data Set for Download or QSAR

Found 2014 hits with Last Name = 'pujala' and Initial = 'b'   

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
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525710 (US11174252, Compound 4) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4OCCN(C(C)C)c4c3)nc2)CC1 Show InChI	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525562 (US11174252, Compound 1) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F Show InChI	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525562 (US11174252, Compound 1) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F Show InChI	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525763 (US11174252, Compound 450) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(CC2)C(=O)CN(C)C)ncc1F Show InChI	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525763 (US11174252, Compound 450) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(CC2)C(=O)CN(C)C)ncc1F Show InChI	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525786 (US11174252, Compound 474) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(C)=O)ncc1F Show InChI	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525771 (US11174252, Compound 458) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C(=O)N3CCC(O)CC3)c(F)c2)ncc1F Show InChI	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50323728 (2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...) Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(2.13,-14.38,;2.12,-12.84,;3.46,-12.06,;3.45,-10.52,;2.1,-9.75,;.77,-10.55,;.79,-12.08,;-.54,-12.85,;-.54,-14.41,;.81,-15.18,;.81,-16.72,;-.43,-17.63,;.05,-19.1,;-.74,-20.41,;-2.27,-20.38,;-3.06,-21.69,;-4.6,-21.66,;-2.32,-23.04,;-.78,-23.06,;-.03,-24.4,;.01,-21.74,;1.59,-19.09,;2.62,-20.22,;2.15,-21.69,;4.12,-19.9,;4.59,-18.43,;3.56,-17.3,;2.07,-17.63,;-1.87,-15.18,;-3.21,-14.41,;-4.55,-15.19,;-5.88,-14.42,;-5.87,-12.87,;-4.55,-12.1,;-4.56,-10.56,;-3.21,-12.87,;-1.88,-12.1,;-1.89,-10.56,)| Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay				ACS Med Chem Lett 7: 1161-1166 (2016) Article DOI: 10.1021/acsmedchemlett.6b00356 BindingDB Entry DOI: 10.7270/Q29K4D6F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Wee1-like protein kinase (Homo sapiens (Human))	BDBM549228 (US11299493, Compound 1.144 | US11299493, S-47) Show SMILES CC(C)n1n(-c2cccc(n2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O Show InChI	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed in 1×...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84G37
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525754 (US11174252, Compound 441) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(=O)CN(C)C)ncc1F Show InChI	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM549213 (US11299493, Compound 1.131 | US11299493, S-33) Show SMILES CCn1n(-c2cccc(n2)C(C)(C)C)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O Show InChI	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed in 1×...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84G37
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525710 (US11174252, Compound 4) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4OCCN(C(C)C)c4c3)nc2)CC1 Show InChI	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50323728 (2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...) Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(2.13,-14.38,;2.12,-12.84,;3.46,-12.06,;3.45,-10.52,;2.1,-9.75,;.77,-10.55,;.79,-12.08,;-.54,-12.85,;-.54,-14.41,;.81,-15.18,;.81,-16.72,;-.43,-17.63,;.05,-19.1,;-.74,-20.41,;-2.27,-20.38,;-3.06,-21.69,;-4.6,-21.66,;-2.32,-23.04,;-.78,-23.06,;-.03,-24.4,;.01,-21.74,;1.59,-19.09,;2.62,-20.22,;2.15,-21.69,;4.12,-19.9,;4.59,-18.43,;3.56,-17.3,;2.07,-17.63,;-1.87,-15.18,;-3.21,-14.41,;-4.55,-15.19,;-5.88,-14.42,;-5.87,-12.87,;-4.55,-12.1,;-4.56,-10.56,;-3.21,-12.87,;-1.88,-12.1,;-1.89,-10.56,)| Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) in presence of [gamma-32P]ATP by phosphorimaging assay				ACS Med Chem Lett 7: 1161-1166 (2016) Article DOI: 10.1021/acsmedchemlett.6b00356 BindingDB Entry DOI: 10.7270/Q29K4D6F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM525717 (US11174252, Compound 12) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK5 (p25): IC50 values of compounds against CDK5 (p25) were determined by Z′-LYTE™. These screening assays were performed at Invitrogen L...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525762 (US11174252, Compound 449) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCN(CC3)C(=O)CN(C)C)c(F)c2)ncc1F Show InChI	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525733 (US11174252, Compound 28) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2F)ncc1F Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM525769 (US11174252, Compound 456) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)CN(C)C)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK5 (p25): IC50 values of compounds against CDK5 (p25) were determined by Z′-LYTE™. These screening assays were performed at Invitrogen L...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525724 (US11174252, Compound 19) Show SMILES CC(C)N1CCc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4OCCN(C(C)C)c4c3)cc2C1 Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM549207 (US11299493, Compound 1.126 | US11299493, S-28) Show SMILES CCn1n(-c2cccc(n2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed in 1×...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84G37
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM549236 (US11299493, Compound 1.152 | US11299493, S-55) Show SMILES CC(C)(C)c1cccc(n1)-n1n(CC(F)(F)F)c(=O)c2cnc(Nc3ccc4CCNCc4c3)nc12 Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed in 1×...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84G37
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM549240 (US11299493, Compound 1.156 | US11299493, S-59) Show SMILES CC(C)n1n(-c2cccc(c2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed in 1×...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84G37
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM554370 (US11332473, Compound 1.39) Show SMILES CCn1n(-c2cccc(n2)C2(CC2)C#N)c2nc(Nc3ccc4c(CCNC4(C)C)c3)ncc2c1=O Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description WEE1: IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XG9VB2
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM554374 (US11332473, Compound 1.42) Show SMILES CCn1n(-c2cccc(n2)C2(CC2)C#N)c2nc(Nc3ccc4c(CCNC44CC4)c3)ncc2c1=O Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description WEE1: IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XG9VB2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525806 (US11174252, Compound 498) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)C2)ncc1F Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525724 (US11174252, Compound 19) Show SMILES CC(C)N1CCc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4OCCN(C(C)C)c4c3)cc2C1 Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525819 (US11174252, Compound 512) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2=O)ncc1F Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM525819 (US11174252, Compound 512) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2=O)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK5 (p25): IC50 values of compounds against CDK5 (p25) were determined by Z′-LYTE™. These screening assays were performed at Invitrogen L...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM525820 (US11174252, Compound 513) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2)S(=O)(=O)NCCN(C)C)ncc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK1 (cyclin B): IC50 values of compounds against CDK1 (cyclin B) were determined by Z′-LYTE™. These screening assays were performed at In...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525822 (US11174252, Compound 516) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(CN3CCN(CC4CC4)CC3)cn2)ncc1F Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525721 (US11174252, Compound 16) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CCNCc3c2)ncc1F Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM525825 (US11174252, Compound 520) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK1 (cyclin B): IC50 values of compounds against CDK1 (cyclin B) were determined by Z′-LYTE™. These screening assays were performed at In...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM525825 (US11174252, Compound 520) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK5 (p25): IC50 values of compounds against CDK5 (p25) were determined by Z′-LYTE™. These screening assays were performed at Invitrogen L...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525721 (US11174252, Compound 16) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CCNCc3c2)ncc1F Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525792 (US11174252, Compound 481) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525754 (US11174252, Compound 441) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(=O)CN(C)C)ncc1F Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525755 (US11174252, Compound 442) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM518539 (2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6...) Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CNCCc4c3)nc12 Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed in 1×...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84G37
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525732 (US11174252, Compound 27) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(CC3)N3CCCC3)c(F)c2)ncc1F Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM525738 (US11174252, Compound 33) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)C2CCN(C)CC2)ncc1F Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK5 (p25): IC50 values of compounds against CDK5 (p25) were determined by Z′-LYTE™. These screening assays were performed at Invitrogen L...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM518530 (2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6...) Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)cc2C1 Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed in 1×...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84G37
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525735 (US11174252, Compound 30) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2)ncc1Cl Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525734 (US11174252, Compound 29) Show SMILES COc1cc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C(C)C)c3c2)ccc1N1CCNCC1 Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM525769 (US11174252, Compound 456) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)CN(C)C)ncc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK1 (cyclin B): IC50 values of compounds against CDK1 (cyclin B) were determined by Z′-LYTE™. These screening assays were performed at In...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM549189 (US11299493, Compound 1.14 | US11299493, S-14) Show SMILES CCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4c(CN(CC4(C)C)C(=O)CO)c3)ncc2c1=O Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed in 1×...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84G37
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525760 (US11174252, Compound 447) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(O)CC2)ncc1F Show InChI	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525762 (US11174252, Compound 449) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCN(CC3)C(=O)CN(C)C)c(F)c2)ncc1F Show InChI	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM525815 (US11174252, Compound 507) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK1 (cyclin B): IC50 values of compounds against CDK1 (cyclin B) were determined by Z′-LYTE™. These screening assays were performed at In...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM525738 (US11174252, Compound 33) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)C2CCN(C)CC2)ncc1F Show InChI	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM525768 (US11174252, Compound 455) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CCN(Cc3c2)C(=O)CN(C)C)ncc1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FMS: IC50 values of compounds against FMS kinase were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen (Life Technologies Grand...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM525738 (US11174252, Compound 33) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)C2CCN(C)CC2)ncc1F Show InChI	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair

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