Found 104 hits with Last Name = 'alba' and Initial = 'gq' 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 |
|---|
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001577
(CHEMBL3237712)Show SMILES COc1nc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)ccc1N1CCC(CC1)N(C)C |r,wU:17.17,wD:20.21,(.78,-65.37,;2.1,-66.15,;3.44,-65.38,;3.44,-63.83,;4.77,-63.06,;4.76,-61.52,;6.09,-60.75,;6.08,-59.22,;7.4,-58.44,;8.75,-59.21,;10.22,-58.73,;10.84,-57.33,;12.37,-57.17,;13.28,-58.42,;12.65,-59.83,;11.12,-59.98,;10.21,-61.23,;10.69,-62.7,;12.2,-63.02,;12.67,-64.49,;11.63,-65.63,;12.1,-67.1,;10.13,-65.3,;9.66,-63.84,;8.74,-60.75,;7.42,-61.52,;6.1,-63.83,;6.11,-65.38,;4.77,-66.15,;4.77,-67.69,;3.43,-68.46,;3.43,-69.99,;4.76,-70.76,;6.09,-70,;6.1,-68.45,;4.75,-72.3,;3.41,-73.07,;6.08,-73.08,)| Show InChI InChI=1S/C29H38N8O/c1-19-5-7-21(8-6-19)37-25-18-30-14-11-22(25)23-17-31-29(34-27(23)37)33-26-10-9-24(28(32-26)38-4)36-15-12-20(13-16-36)35(2)3/h9-11,14,17-21H,5-8,12-13,15-16H2,1-4H3,(H,31,32,33,34)/t19-,21- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001541
(CHEMBL3237706)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nc3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(34.74,-35.4,;34.27,-33.94,;35.31,-32.8,;34.84,-31.33,;33.33,-31.01,;32.3,-32.15,;32.77,-33.61,;32.86,-29.55,;33.77,-28.3,;35.3,-28.14,;35.93,-26.73,;35.02,-25.48,;33.49,-25.65,;32.87,-27.05,;31.4,-27.52,;30.05,-26.75,;28.73,-27.53,;28.74,-29.06,;27.41,-29.84,;27.41,-31.38,;28.74,-32.13,;28.75,-33.66,;27.42,-34.45,;26.08,-33.68,;26.08,-32.14,;27.42,-35.99,;26.09,-36.76,;26.1,-38.29,;27.43,-39.06,;28.76,-38.29,;28.76,-36.74,;30.07,-29.83,;31.39,-29.07,)| Show InChI InChI=1S/C25H30N8/c1-17-2-5-19(6-3-17)33-22-16-27-9-8-20(22)21-15-29-25(31-24(21)33)30-18-4-7-23(28-14-18)32-12-10-26-11-13-32/h4,7-9,14-17,19,26H,2-3,5-6,10-13H2,1H3,(H,29,30,31)/t17-,19- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001583
(CHEMBL3237718)Show SMILES COc1nc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)ccc1N1CCC2(CCC(=O)N2)CC1 |r,wU:17.17,wD:20.21,(36.2,-55.73,;37.53,-56.52,;38.87,-55.76,;38.89,-54.23,;40.23,-53.48,;40.24,-51.95,;41.57,-51.18,;41.56,-49.64,;42.89,-48.87,;44.23,-49.63,;45.7,-49.16,;46.33,-47.76,;47.86,-47.59,;48.77,-48.84,;48.14,-50.25,;46.6,-50.41,;45.7,-51.66,;46.17,-53.12,;47.67,-53.44,;48.14,-54.91,;47.11,-56.05,;47.58,-57.52,;45.6,-55.72,;45.13,-54.26,;44.23,-51.18,;42.9,-51.95,;41.54,-54.25,;41.53,-55.78,;40.19,-56.54,;40.18,-58.07,;38.84,-58.83,;38.82,-60.36,;40.14,-61.15,;38.9,-62.06,;39.37,-63.52,;40.91,-63.52,;41.82,-64.77,;41.39,-62.06,;41.49,-60.4,;41.51,-58.85,)| Show InChI InChI=1S/C30H36N8O2/c1-19-3-5-20(6-4-19)38-24-18-31-14-10-21(24)22-17-32-29(35-27(22)38)34-25-8-7-23(28(33-25)40-2)37-15-12-30(13-16-37)11-9-26(39)36-30/h7-8,10,14,17-20H,3-6,9,11-13,15-16H2,1-2H3,(H,36,39)(H,32,33,34,35)/t19-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001576
(CHEMBL3237711)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(N4CCC(CC4)N(C)C)c(F)n3)nc12 |r,wU:4.7,wD:1.0,(48.6,-50.76,;48.13,-49.29,;49.17,-48.15,;48.7,-46.68,;47.19,-46.36,;46.16,-47.5,;46.63,-48.96,;46.72,-44.9,;47.63,-43.65,;49.16,-43.49,;49.79,-42.08,;48.88,-40.83,;47.35,-40.99,;46.73,-42.4,;45.26,-42.87,;43.91,-42.1,;42.58,-42.88,;42.6,-44.41,;41.27,-45.19,;41.25,-46.72,;42.56,-47.49,;42.55,-49.02,;41.22,-49.78,;41.2,-51.31,;39.86,-52.07,;39.84,-53.6,;41.17,-54.39,;42.51,-53.63,;42.53,-52.09,;41.15,-55.93,;39.8,-56.68,;42.47,-56.72,;39.9,-49,;38.55,-49.76,;39.91,-47.47,;43.93,-45.18,;45.25,-44.42,)| Show InChI InChI=1S/C28H35FN8/c1-18-4-6-20(7-5-18)37-24-17-30-13-10-21(24)22-16-31-28(34-27(22)37)33-25-9-8-23(26(29)32-25)36-14-11-19(12-15-36)35(2)3/h8-10,13,16-20H,4-7,11-12,14-15H2,1-3H3,(H,31,32,33,34)/t18-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001539
(CHEMBL3237704 | US8841312, 204)Show SMILES CC1(C)CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 Show InChI InChI=1S/C26H32N8/c1-26(2)8-5-18(6-9-26)34-22-17-28-10-7-20(22)21-16-30-25(32-24(21)34)31-23-4-3-19(15-29-23)33-13-11-27-12-14-33/h3-4,7,10,15-18,27H,5-6,8-9,11-14H2,1-2H3,(H,29,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001537
(CHEMBL3237702 | US8841312, 55)Show SMILES CC1CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |(35.98,-56.71,;35.51,-55.25,;34.01,-54.92,;33.54,-53.46,;34.57,-52.32,;36.08,-52.63,;36.55,-54.1,;34.1,-50.85,;35.01,-49.6,;36.54,-49.45,;37.17,-48.04,;36.26,-46.79,;34.73,-46.95,;34.11,-48.35,;32.64,-48.83,;31.29,-48.06,;29.97,-48.84,;29.98,-50.37,;28.65,-51.14,;28.65,-52.68,;29.99,-53.45,;29.99,-55,;28.66,-55.77,;27.32,-55,;27.33,-53.45,;28.66,-57.31,;27.32,-58.08,;27.31,-59.61,;28.64,-60.38,;29.98,-59.62,;29.99,-58.07,;31.31,-51.14,;32.63,-50.37,)| Show InChI InChI=1S/C25H30N8/c1-17-2-4-18(5-3-17)33-22-16-27-9-8-20(22)21-15-29-25(31-24(21)33)30-23-7-6-19(14-28-23)32-12-10-26-11-13-32/h6-9,14-18,26H,2-5,10-13H2,1H3,(H,28,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM112464
(US8623885, 5)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCc4n3)C(=O)CO)nc12 |r,wU:4.7,wD:1.0,(4.13,-3.21,;3.73,-1.73,;4.82,-.64,;4.42,.85,;2.93,1.25,;1.84,.16,;2.24,-1.33,;2.53,2.74,;3.44,3.98,;4.97,4.14,;5.6,5.55,;4.69,6.8,;3.16,6.64,;2.53,5.23,;1.07,4.75,;-.26,5.52,;-1.6,4.75,;-1.6,3.21,;-2.93,2.44,;-2.93,.9,;-1.6,.13,;-1.6,-1.41,;-2.93,-2.18,;-2.93,-3.72,;-4.26,-4.49,;-5.6,-3.72,;-5.6,-2.18,;-4.26,-1.41,;-4.26,.13,;-4.26,-6.03,;-5.6,-6.8,;-2.93,-6.8,;-1.6,-6.03,;-.26,2.44,;1.07,3.21,)| Show InChI InChI=1S/C26H29N7O2/c1-16-2-5-18(6-3-16)33-22-13-27-10-8-19(22)20-12-28-26(31-25(20)33)30-23-7-4-17-14-32(24(35)15-34)11-9-21(17)29-23/h4,7-8,10,12-13,16,18,34H,2-3,5-6,9,11,14-15H2,1H3,(H,28,29,30,31)/t16-,18- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001543
(CHEMBL3237708)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC(N)CC3)nc12 |r,wU:4.7,wD:1.0,(11.29,-49.99,;10.82,-48.52,;11.85,-47.38,;11.38,-45.91,;9.88,-45.59,;8.84,-46.74,;9.31,-48.2,;9.41,-44.13,;10.31,-42.88,;11.84,-42.73,;12.48,-41.32,;11.56,-40.07,;10.04,-40.23,;9.41,-41.63,;7.94,-42.1,;6.6,-41.34,;5.27,-42.12,;5.28,-43.65,;3.95,-44.42,;3.96,-45.96,;5.29,-46.72,;5.3,-48.25,;3.96,-49.03,;2.63,-48.27,;2.62,-46.73,;3.97,-50.58,;2.64,-51.35,;2.64,-52.89,;3.98,-53.66,;3.98,-55.2,;5.31,-52.88,;5.31,-51.34,;6.62,-44.42,;7.94,-43.65,)| Show InChI InChI=1S/C26H32N8/c1-17-2-4-19(5-3-17)34-23-16-28-11-8-21(23)22-15-30-26(32-25(22)34)31-24-7-6-20(14-29-24)33-12-9-18(27)10-13-33/h6-8,11,14-19H,2-5,9-10,12-13,27H2,1H3,(H,29,30,31,32)/t17-,19- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001576
(CHEMBL3237711)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(N4CCC(CC4)N(C)C)c(F)n3)nc12 |r,wU:4.7,wD:1.0,(48.6,-50.76,;48.13,-49.29,;49.17,-48.15,;48.7,-46.68,;47.19,-46.36,;46.16,-47.5,;46.63,-48.96,;46.72,-44.9,;47.63,-43.65,;49.16,-43.49,;49.79,-42.08,;48.88,-40.83,;47.35,-40.99,;46.73,-42.4,;45.26,-42.87,;43.91,-42.1,;42.58,-42.88,;42.6,-44.41,;41.27,-45.19,;41.25,-46.72,;42.56,-47.49,;42.55,-49.02,;41.22,-49.78,;41.2,-51.31,;39.86,-52.07,;39.84,-53.6,;41.17,-54.39,;42.51,-53.63,;42.53,-52.09,;41.15,-55.93,;39.8,-56.68,;42.47,-56.72,;39.9,-49,;38.55,-49.76,;39.91,-47.47,;43.93,-45.18,;45.25,-44.42,)| Show InChI InChI=1S/C28H35FN8/c1-18-4-6-20(7-5-18)37-24-17-30-13-10-21(24)22-16-31-28(34-27(22)37)33-25-9-8-23(26(29)32-25)36-14-11-19(12-15-36)35(2)3/h8-10,13,16-20H,4-7,11-12,14-15H2,1-3H3,(H,31,32,33,34)/t18-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001536
(CHEMBL3237451 | US8841312, 23)Show SMILES C1CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 Show InChI InChI=1S/C24H28N8/c1-2-4-17(5-3-1)32-21-16-26-9-8-19(21)20-15-28-24(30-23(20)32)29-22-7-6-18(14-27-22)31-12-10-25-11-13-31/h6-9,14-17,25H,1-5,10-13H2,(H,27,28,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001584
(CHEMBL3237442 | US8841312, 1)Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 Show InChI InChI=1S/C23H26N8/c1-2-4-16(3-1)31-20-15-25-8-7-18(20)19-14-27-23(29-22(19)31)28-21-6-5-17(13-26-21)30-11-9-24-10-12-30/h5-8,13-16,24H,1-4,9-12H2,(H,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001544
(CHEMBL3237709)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC(CC3)N(C)C)nc12 |r,wU:4.7,wD:1.0,(23.53,-50.28,;23.06,-48.82,;24.09,-47.68,;23.62,-46.2,;22.12,-45.89,;21.08,-47.03,;21.55,-48.49,;21.65,-44.42,;22.55,-43.17,;24.08,-43.02,;24.72,-41.61,;23.8,-40.36,;22.28,-40.52,;21.65,-41.92,;20.18,-42.4,;18.83,-41.63,;17.51,-42.41,;17.52,-43.94,;16.19,-44.71,;16.17,-46.25,;17.49,-47.02,;17.48,-48.55,;16.14,-49.31,;14.82,-48.53,;14.84,-47,;16.13,-50.84,;14.78,-51.59,;14.77,-53.13,;16.09,-53.92,;17.43,-53.16,;17.45,-51.62,;16.07,-55.46,;14.73,-56.21,;17.4,-56.24,;18.85,-44.71,;20.18,-43.94,)| Show InChI InChI=1S/C28H36N8/c1-19-4-6-21(7-5-19)36-25-18-29-13-10-23(25)24-17-31-28(33-27(24)36)32-26-9-8-22(16-30-26)35-14-11-20(12-15-35)34(2)3/h8-10,13,16-21H,4-7,11-12,14-15H2,1-3H3,(H,30,31,32,33)/t19-,21- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001538
(CHEMBL3237703)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(47.68,-57.06,;47.21,-55.59,;48.24,-54.45,;47.78,-52.99,;46.29,-52.68,;45.25,-53.81,;45.71,-55.26,;45.82,-51.22,;46.72,-49.97,;48.26,-49.81,;48.89,-48.4,;47.98,-47.15,;46.45,-47.31,;45.82,-48.71,;44.35,-49.19,;43,-48.42,;41.68,-49.2,;41.69,-50.73,;40.36,-51.51,;40.36,-53.05,;41.7,-53.81,;41.7,-55.37,;40.36,-56.14,;39.03,-55.37,;39.03,-53.82,;40.36,-57.68,;39.02,-58.45,;39.02,-59.98,;40.35,-60.76,;41.69,-59.99,;41.7,-58.45,;43.02,-51.51,;44.34,-50.74,)| Show InChI InChI=1S/C25H30N8/c1-17-2-4-18(5-3-17)33-22-16-27-9-8-20(22)21-15-29-25(31-24(21)33)30-23-7-6-19(14-28-23)32-12-10-26-11-13-32/h6-9,14-18,26H,2-5,10-13H2,1H3,(H,28,29,30,31)/t17-,18- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001537
(CHEMBL3237702 | US8841312, 55)Show SMILES CC1CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |(35.98,-56.71,;35.51,-55.25,;34.01,-54.92,;33.54,-53.46,;34.57,-52.32,;36.08,-52.63,;36.55,-54.1,;34.1,-50.85,;35.01,-49.6,;36.54,-49.45,;37.17,-48.04,;36.26,-46.79,;34.73,-46.95,;34.11,-48.35,;32.64,-48.83,;31.29,-48.06,;29.97,-48.84,;29.98,-50.37,;28.65,-51.14,;28.65,-52.68,;29.99,-53.45,;29.99,-55,;28.66,-55.77,;27.32,-55,;27.33,-53.45,;28.66,-57.31,;27.32,-58.08,;27.31,-59.61,;28.64,-60.38,;29.98,-59.62,;29.99,-58.07,;31.31,-51.14,;32.63,-50.37,)| Show InChI InChI=1S/C25H30N8/c1-17-2-4-18(5-3-17)33-22-16-27-9-8-20(22)21-15-29-25(31-24(21)33)30-23-7-6-19(14-28-23)32-12-10-26-11-13-32/h6-9,14-18,26H,2-5,10-13H2,1H3,(H,28,29,30,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001542
(CHEMBL3237707)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(45.37,-36.01,;44.9,-34.54,;45.94,-33.4,;45.47,-31.93,;43.97,-31.61,;42.93,-32.75,;43.4,-34.21,;43.49,-30.15,;44.4,-28.9,;45.93,-28.74,;46.56,-27.34,;45.65,-26.08,;44.12,-26.25,;43.5,-27.65,;42.03,-28.12,;40.68,-27.36,;39.36,-28.13,;39.37,-29.66,;38.04,-30.44,;38.04,-31.98,;39.37,-32.73,;39.38,-34.27,;38.05,-35.05,;36.71,-34.28,;36.71,-32.74,;38.06,-36.59,;36.72,-37.36,;36.73,-38.89,;38.06,-39.67,;39.39,-38.89,;39.39,-37.35,;40.7,-30.43,;42.02,-29.67,)| Show InChI InChI=1S/C24H29N9/c1-16-2-4-17(5-3-16)33-20-15-26-9-8-18(20)19-14-27-24(29-23(19)33)28-21-6-7-22(31-30-21)32-12-10-25-11-13-32/h6-9,14-17,25H,2-5,10-13H2,1H3,(H,27,28,29,30)/t16-,17- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001543
(CHEMBL3237708)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC(N)CC3)nc12 |r,wU:4.7,wD:1.0,(11.29,-49.99,;10.82,-48.52,;11.85,-47.38,;11.38,-45.91,;9.88,-45.59,;8.84,-46.74,;9.31,-48.2,;9.41,-44.13,;10.31,-42.88,;11.84,-42.73,;12.48,-41.32,;11.56,-40.07,;10.04,-40.23,;9.41,-41.63,;7.94,-42.1,;6.6,-41.34,;5.27,-42.12,;5.28,-43.65,;3.95,-44.42,;3.96,-45.96,;5.29,-46.72,;5.3,-48.25,;3.96,-49.03,;2.63,-48.27,;2.62,-46.73,;3.97,-50.58,;2.64,-51.35,;2.64,-52.89,;3.98,-53.66,;3.98,-55.2,;5.31,-52.88,;5.31,-51.34,;6.62,-44.42,;7.94,-43.65,)| Show InChI InChI=1S/C26H32N8/c1-17-2-4-19(5-3-17)34-23-16-28-11-8-21(23)22-15-30-26(32-25(22)34)31-24-7-6-20(14-29-24)33-12-9-18(27)10-13-33/h6-8,11,14-19H,2-5,9-10,12-13,27H2,1H3,(H,29,30,31,32)/t17-,19- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001544
(CHEMBL3237709)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC(CC3)N(C)C)nc12 |r,wU:4.7,wD:1.0,(23.53,-50.28,;23.06,-48.82,;24.09,-47.68,;23.62,-46.2,;22.12,-45.89,;21.08,-47.03,;21.55,-48.49,;21.65,-44.42,;22.55,-43.17,;24.08,-43.02,;24.72,-41.61,;23.8,-40.36,;22.28,-40.52,;21.65,-41.92,;20.18,-42.4,;18.83,-41.63,;17.51,-42.41,;17.52,-43.94,;16.19,-44.71,;16.17,-46.25,;17.49,-47.02,;17.48,-48.55,;16.14,-49.31,;14.82,-48.53,;14.84,-47,;16.13,-50.84,;14.78,-51.59,;14.77,-53.13,;16.09,-53.92,;17.43,-53.16,;17.45,-51.62,;16.07,-55.46,;14.73,-56.21,;17.4,-56.24,;18.85,-44.71,;20.18,-43.94,)| Show InChI InChI=1S/C28H36N8/c1-19-4-6-21(7-5-19)36-25-18-29-13-10-23(25)24-17-31-28(33-27(24)36)32-26-9-8-22(16-30-26)35-14-11-20(12-15-35)34(2)3/h8-10,13,16-21H,4-7,11-12,14-15H2,1-3H3,(H,30,31,32,33)/t19-,21- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001545
(CHEMBL3237710)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CC3)N(C)C)nc12 |r,wU:4.7,wD:1.0,(36.03,-51.17,;35.57,-49.71,;36.6,-48.56,;36.13,-47.09,;34.63,-46.77,;33.59,-47.92,;34.06,-49.38,;34.16,-45.31,;35.06,-44.06,;36.59,-43.9,;37.22,-42.5,;36.31,-41.25,;34.79,-41.41,;34.16,-42.81,;32.69,-43.28,;31.34,-42.52,;30.02,-43.3,;30.03,-44.83,;28.7,-45.6,;28.68,-47.13,;30,-47.91,;29.99,-49.43,;28.65,-50.19,;27.33,-49.41,;27.35,-47.88,;28.64,-51.73,;27.29,-52.48,;27.28,-54.01,;28.6,-54.8,;29.94,-54.05,;29.96,-52.5,;28.58,-56.34,;27.24,-57.1,;29.91,-57.13,;31.36,-45.6,;32.69,-44.83,)| Show InChI InChI=1S/C27H35N9/c1-18-4-6-20(7-5-18)36-23-17-28-13-10-21(23)22-16-29-27(31-26(22)36)30-24-8-9-25(33-32-24)35-14-11-19(12-15-35)34(2)3/h8-10,13,16-20H,4-7,11-12,14-15H2,1-3H3,(H,29,30,31,32)/t18-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001582
(CHEMBL3237717)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC4(CCC(=O)N4)CC3)nc12 |r,wU:4.7,wD:1.0,(34.23,-57.43,;33.76,-55.97,;34.8,-54.83,;34.33,-53.35,;32.82,-53.04,;31.79,-54.18,;32.26,-55.64,;32.35,-51.57,;33.26,-50.32,;34.79,-50.17,;35.42,-48.76,;34.51,-47.51,;32.98,-47.67,;32.36,-49.07,;30.88,-49.55,;29.54,-48.78,;28.21,-49.56,;28.23,-51.09,;26.89,-51.86,;26.88,-53.4,;28.19,-54.17,;28.18,-55.7,;26.84,-56.46,;25.52,-55.68,;25.54,-54.15,;26.83,-57.99,;25.49,-58.74,;25.47,-60.28,;26.8,-61.07,;25.55,-61.97,;26.03,-63.44,;27.57,-63.44,;28.47,-64.69,;28.04,-61.97,;28.14,-60.31,;28.16,-58.77,;29.56,-51.86,;30.88,-51.09,)| Show InChI InChI=1S/C29H34N8O/c1-19-2-4-20(5-3-19)37-24-18-30-13-9-22(24)23-17-32-28(34-27(23)37)33-25-7-6-21(16-31-25)36-14-11-29(12-15-36)10-8-26(38)35-29/h6-7,9,13,16-20H,2-5,8,10-12,14-15H2,1H3,(H,35,38)(H,31,32,33,34)/t19-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001579
(CHEMBL3237714)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCN(CC3)C(=O)CO)nc12 |r,wU:4.7,wD:1.0,(38.73,-67.78,;38.26,-66.31,;39.3,-65.17,;38.83,-63.7,;37.32,-63.38,;36.29,-64.52,;36.76,-65.98,;36.85,-61.92,;37.76,-60.67,;39.29,-60.51,;39.92,-59.1,;39.01,-57.85,;37.48,-58.01,;36.86,-59.41,;35.39,-59.89,;34.04,-59.12,;32.71,-59.9,;32.73,-61.43,;31.4,-62.21,;31.38,-63.74,;32.69,-64.51,;32.68,-66.04,;31.35,-66.8,;30.03,-66.02,;30.04,-64.49,;31.33,-68.34,;29.99,-69.09,;29.97,-70.62,;31.3,-71.41,;32.64,-70.65,;32.66,-69.11,;31.28,-72.95,;29.93,-73.7,;32.6,-73.73,;33.94,-72.98,;34.06,-62.2,;35.38,-61.43,)| Show InChI InChI=1S/C26H31N9O2/c1-17-2-4-18(5-3-17)35-21-15-27-9-8-19(21)20-14-28-26(30-25(20)35)29-22-6-7-23(32-31-22)33-10-12-34(13-11-33)24(37)16-36/h6-9,14-15,17-18,36H,2-5,10-13,16H2,1H3,(H,28,29,30,31)/t17-,18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001535
(CHEMBL3237450)Show SMILES O[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(9.78,-56.01,;9.31,-54.55,;10.34,-53.41,;9.88,-51.94,;8.38,-51.63,;7.35,-52.76,;7.81,-54.22,;7.91,-50.17,;8.82,-48.92,;10.35,-48.76,;10.98,-47.35,;10.07,-46.1,;8.54,-46.26,;7.92,-47.66,;6.44,-48.14,;5.1,-47.37,;3.77,-48.15,;3.78,-49.68,;2.45,-50.46,;2.45,-52,;3.79,-52.76,;3.8,-54.31,;2.46,-55.09,;1.12,-54.32,;1.12,-52.77,;2.46,-56.63,;1.12,-57.4,;1.11,-58.93,;2.44,-59.71,;3.78,-58.94,;3.79,-57.4,;5.11,-50.45,;6.44,-49.69,)| Show InChI InChI=1S/C24H28N8O/c33-18-4-1-16(2-5-18)32-21-15-26-8-7-19(21)20-14-28-24(30-23(20)32)29-22-6-3-17(13-27-22)31-11-9-25-10-12-31/h3,6-8,13-16,18,25,33H,1-2,4-5,9-12H2,(H,27,28,29,30)/t16-,18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001578
(CHEMBL3237713)Show SMILES C[C@@H](O)CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)nn1 |r,wU:28.29,1.0,wD:31.33,(19.97,-71.17,;19.95,-72.71,;21.28,-73.5,;18.61,-73.46,;17.29,-72.68,;15.94,-73.43,;17.3,-71.14,;15.98,-70.35,;16,-68.81,;17.34,-68.07,;18.67,-68.84,;18.65,-70.38,;17.35,-66.53,;18.69,-65.77,;18.7,-64.24,;17.39,-63.47,;17.4,-61.93,;18.73,-61.16,;18.72,-59.63,;20.05,-58.85,;21.39,-59.62,;22.86,-59.14,;23.49,-57.74,;25.02,-57.58,;25.93,-58.83,;25.3,-60.24,;23.77,-60.39,;22.86,-61.64,;23.33,-63.11,;24.84,-63.42,;25.31,-64.9,;24.27,-66.04,;24.74,-67.5,;22.76,-65.71,;22.3,-64.25,;21.39,-61.16,;20.07,-61.93,;16.05,-64.22,;16.03,-65.75,)| Show InChI InChI=1S/C29H39N9O/c1-19-4-6-22(7-5-19)38-25-17-30-13-10-23(25)24-16-31-29(33-28(24)38)32-26-8-9-27(35-34-26)37-14-11-21(12-15-37)36(3)18-20(2)39/h8-10,13,16-17,19-22,39H,4-7,11-12,14-15,18H2,1-3H3,(H,31,32,33,34)/t19-,20-,22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001577
(CHEMBL3237712)Show SMILES COc1nc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)ccc1N1CCC(CC1)N(C)C |r,wU:17.17,wD:20.21,(.78,-65.37,;2.1,-66.15,;3.44,-65.38,;3.44,-63.83,;4.77,-63.06,;4.76,-61.52,;6.09,-60.75,;6.08,-59.22,;7.4,-58.44,;8.75,-59.21,;10.22,-58.73,;10.84,-57.33,;12.37,-57.17,;13.28,-58.42,;12.65,-59.83,;11.12,-59.98,;10.21,-61.23,;10.69,-62.7,;12.2,-63.02,;12.67,-64.49,;11.63,-65.63,;12.1,-67.1,;10.13,-65.3,;9.66,-63.84,;8.74,-60.75,;7.42,-61.52,;6.1,-63.83,;6.11,-65.38,;4.77,-66.15,;4.77,-67.69,;3.43,-68.46,;3.43,-69.99,;4.76,-70.76,;6.09,-70,;6.1,-68.45,;4.75,-72.3,;3.41,-73.07,;6.08,-73.08,)| Show InChI InChI=1S/C29H38N8O/c1-19-5-7-21(8-6-19)37-25-18-30-14-11-22(25)23-17-31-29(34-27(23)37)33-26-10-9-24(28(32-26)38-4)36-15-12-20(13-16-36)35(2)3/h9-11,14,17-21H,5-8,12-13,15-16H2,1-4H3,(H,31,32,33,34)/t19-,21- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001582
(CHEMBL3237717)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC4(CCC(=O)N4)CC3)nc12 |r,wU:4.7,wD:1.0,(34.23,-57.43,;33.76,-55.97,;34.8,-54.83,;34.33,-53.35,;32.82,-53.04,;31.79,-54.18,;32.26,-55.64,;32.35,-51.57,;33.26,-50.32,;34.79,-50.17,;35.42,-48.76,;34.51,-47.51,;32.98,-47.67,;32.36,-49.07,;30.88,-49.55,;29.54,-48.78,;28.21,-49.56,;28.23,-51.09,;26.89,-51.86,;26.88,-53.4,;28.19,-54.17,;28.18,-55.7,;26.84,-56.46,;25.52,-55.68,;25.54,-54.15,;26.83,-57.99,;25.49,-58.74,;25.47,-60.28,;26.8,-61.07,;25.55,-61.97,;26.03,-63.44,;27.57,-63.44,;28.47,-64.69,;28.04,-61.97,;28.14,-60.31,;28.16,-58.77,;29.56,-51.86,;30.88,-51.09,)| Show InChI InChI=1S/C29H34N8O/c1-19-2-4-20(5-3-19)37-24-18-30-13-9-22(24)23-17-32-28(34-27(23)37)33-25-7-6-21(16-31-25)36-14-11-29(12-15-36)10-8-26(38)35-29/h6-7,9,13,16-20H,2-5,8,10-12,14-15H2,1H3,(H,35,38)(H,31,32,33,34)/t19-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001540
(CHEMBL3237705)Show SMILES CC1(C)CCCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 Show InChI InChI=1S/C26H32N8/c1-26(2)8-3-4-18(14-26)34-22-17-28-9-7-20(22)21-16-30-25(32-24(21)34)31-23-6-5-19(15-29-23)33-12-10-27-11-13-33/h5-7,9,15-18,27H,3-4,8,10-14H2,1-2H3,(H,29,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001585
(CHEMBL3237443 | US8841312, 57)Show SMILES Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12 Show InChI InChI=1S/C23H25FN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001540
(CHEMBL3237705)Show SMILES CC1(C)CCCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 Show InChI InChI=1S/C26H32N8/c1-26(2)8-3-4-18(14-26)34-22-17-28-9-7-20(22)21-16-30-25(32-24(21)34)31-23-6-5-19(15-29-23)33-12-10-27-11-13-33/h5-7,9,15-18,27H,3-4,8,10-14H2,1-2H3,(H,29,30,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001541
(CHEMBL3237706)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nc3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(34.74,-35.4,;34.27,-33.94,;35.31,-32.8,;34.84,-31.33,;33.33,-31.01,;32.3,-32.15,;32.77,-33.61,;32.86,-29.55,;33.77,-28.3,;35.3,-28.14,;35.93,-26.73,;35.02,-25.48,;33.49,-25.65,;32.87,-27.05,;31.4,-27.52,;30.05,-26.75,;28.73,-27.53,;28.74,-29.06,;27.41,-29.84,;27.41,-31.38,;28.74,-32.13,;28.75,-33.66,;27.42,-34.45,;26.08,-33.68,;26.08,-32.14,;27.42,-35.99,;26.09,-36.76,;26.1,-38.29,;27.43,-39.06,;28.76,-38.29,;28.76,-36.74,;30.07,-29.83,;31.39,-29.07,)| Show InChI InChI=1S/C25H30N8/c1-17-2-5-19(6-3-17)33-22-16-27-9-8-20(22)21-15-29-25(31-24(21)33)30-18-4-7-23(28-14-18)32-12-10-26-11-13-32/h4,7-9,14-17,19,26H,2-3,5-6,10-13H2,1H3,(H,29,30,31)/t17-,19- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM112464
(US8623885, 5)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCc4n3)C(=O)CO)nc12 |r,wU:4.7,wD:1.0,(4.13,-3.21,;3.73,-1.73,;4.82,-.64,;4.42,.85,;2.93,1.25,;1.84,.16,;2.24,-1.33,;2.53,2.74,;3.44,3.98,;4.97,4.14,;5.6,5.55,;4.69,6.8,;3.16,6.64,;2.53,5.23,;1.07,4.75,;-.26,5.52,;-1.6,4.75,;-1.6,3.21,;-2.93,2.44,;-2.93,.9,;-1.6,.13,;-1.6,-1.41,;-2.93,-2.18,;-2.93,-3.72,;-4.26,-4.49,;-5.6,-3.72,;-5.6,-2.18,;-4.26,-1.41,;-4.26,.13,;-4.26,-6.03,;-5.6,-6.8,;-2.93,-6.8,;-1.6,-6.03,;-.26,2.44,;1.07,3.21,)| Show InChI InChI=1S/C26H29N7O2/c1-16-2-5-18(6-3-16)33-22-13-27-10-8-19(22)20-12-28-26(31-25(20)33)30-23-7-4-17-14-32(24(35)15-34)11-9-21(17)29-23/h4,7-8,10,12-13,16,18,34H,2-3,5-6,9,11,14-15H2,1H3,(H,28,29,30,31)/t16-,18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001545
(CHEMBL3237710)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CC3)N(C)C)nc12 |r,wU:4.7,wD:1.0,(36.03,-51.17,;35.57,-49.71,;36.6,-48.56,;36.13,-47.09,;34.63,-46.77,;33.59,-47.92,;34.06,-49.38,;34.16,-45.31,;35.06,-44.06,;36.59,-43.9,;37.22,-42.5,;36.31,-41.25,;34.79,-41.41,;34.16,-42.81,;32.69,-43.28,;31.34,-42.52,;30.02,-43.3,;30.03,-44.83,;28.7,-45.6,;28.68,-47.13,;30,-47.91,;29.99,-49.43,;28.65,-50.19,;27.33,-49.41,;27.35,-47.88,;28.64,-51.73,;27.29,-52.48,;27.28,-54.01,;28.6,-54.8,;29.94,-54.05,;29.96,-52.5,;28.58,-56.34,;27.24,-57.1,;29.91,-57.13,;31.36,-45.6,;32.69,-44.83,)| Show InChI InChI=1S/C27H35N9/c1-18-4-6-20(7-5-18)36-23-17-28-13-10-21(23)22-16-29-27(31-26(22)36)30-24-8-9-25(33-32-24)35-14-11-19(12-15-35)34(2)3/h8-10,13,16-20H,4-7,11-12,14-15H2,1-3H3,(H,29,30,31,32)/t18-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001586
(CHEMBL3237444 | US8841312, 152)Show SMILES Clc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12 Show InChI InChI=1S/C23H25ClN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001581
(CHEMBL3237716)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC4(CCS(=O)(=O)C4)CC3)nc12 |r,wU:4.7,wD:1.0,(21.52,-57.68,;21.05,-56.21,;22.09,-55.07,;21.62,-53.6,;20.11,-53.29,;19.08,-54.43,;19.55,-55.88,;19.64,-51.83,;20.55,-50.58,;22.08,-50.42,;22.71,-49.01,;21.8,-47.76,;20.27,-47.93,;19.65,-49.33,;18.18,-49.8,;16.83,-49.03,;15.51,-49.81,;15.52,-51.34,;14.19,-52.11,;14.18,-53.65,;15.49,-54.42,;15.48,-55.94,;14.14,-56.7,;12.82,-55.92,;12.84,-54.39,;14.13,-58.23,;12.79,-58.99,;12.77,-60.52,;14.09,-61.31,;12.83,-62.2,;13.28,-63.67,;14.83,-63.7,;14.81,-65.24,;16.31,-64.09,;15.33,-62.24,;15.44,-60.55,;15.46,-59.01,;16.85,-52.11,;18.17,-51.34,)| Show InChI InChI=1S/C28H34N8O2S/c1-19-2-4-20(5-3-19)36-23-17-29-12-8-21(23)22-16-30-27(32-26(22)36)31-24-6-7-25(34-33-24)35-13-9-28(10-14-35)11-15-39(37,38)18-28/h6-8,12,16-17,19-20H,2-5,9-11,13-15,18H2,1H3,(H,30,31,32,33)/t19-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001581
(CHEMBL3237716)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC4(CCS(=O)(=O)C4)CC3)nc12 |r,wU:4.7,wD:1.0,(21.52,-57.68,;21.05,-56.21,;22.09,-55.07,;21.62,-53.6,;20.11,-53.29,;19.08,-54.43,;19.55,-55.88,;19.64,-51.83,;20.55,-50.58,;22.08,-50.42,;22.71,-49.01,;21.8,-47.76,;20.27,-47.93,;19.65,-49.33,;18.18,-49.8,;16.83,-49.03,;15.51,-49.81,;15.52,-51.34,;14.19,-52.11,;14.18,-53.65,;15.49,-54.42,;15.48,-55.94,;14.14,-56.7,;12.82,-55.92,;12.84,-54.39,;14.13,-58.23,;12.79,-58.99,;12.77,-60.52,;14.09,-61.31,;12.83,-62.2,;13.28,-63.67,;14.83,-63.7,;14.81,-65.24,;16.31,-64.09,;15.33,-62.24,;15.44,-60.55,;15.46,-59.01,;16.85,-52.11,;18.17,-51.34,)| Show InChI InChI=1S/C28H34N8O2S/c1-19-2-4-20(5-3-19)36-23-17-29-12-8-21(23)22-16-30-27(32-26(22)36)31-24-6-7-25(34-33-24)35-13-9-28(10-14-35)11-15-39(37,38)18-28/h6-8,12,16-17,19-20H,2-5,9-11,13-15,18H2,1H3,(H,30,31,32,33)/t19-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001586
(CHEMBL3237444 | US8841312, 152)Show SMILES Clc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12 Show InChI InChI=1S/C23H25ClN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001531
(CHEMBL3237446)Show SMILES Oc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12 Show InChI InChI=1S/C23H26N8O/c32-22-20-17(7-8-25-22)18-14-27-23(29-21(18)31(20)15-3-1-2-4-15)28-19-6-5-16(13-26-19)30-11-9-24-10-12-30/h5-8,13-15,24H,1-4,9-12H2,(H,25,32)(H,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001536
(CHEMBL3237451 | US8841312, 23)Show SMILES C1CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 Show InChI InChI=1S/C24H28N8/c1-2-4-17(5-3-1)32-21-16-26-9-8-19(21)20-15-28-24(30-23(20)32)29-22-7-6-18(14-27-22)31-12-10-25-11-13-31/h6-9,14-17,25H,1-5,10-13H2,(H,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001535
(CHEMBL3237450)Show SMILES O[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(9.78,-56.01,;9.31,-54.55,;10.34,-53.41,;9.88,-51.94,;8.38,-51.63,;7.35,-52.76,;7.81,-54.22,;7.91,-50.17,;8.82,-48.92,;10.35,-48.76,;10.98,-47.35,;10.07,-46.1,;8.54,-46.26,;7.92,-47.66,;6.44,-48.14,;5.1,-47.37,;3.77,-48.15,;3.78,-49.68,;2.45,-50.46,;2.45,-52,;3.79,-52.76,;3.8,-54.31,;2.46,-55.09,;1.12,-54.32,;1.12,-52.77,;2.46,-56.63,;1.12,-57.4,;1.11,-58.93,;2.44,-59.71,;3.78,-58.94,;3.79,-57.4,;5.11,-50.45,;6.44,-49.69,)| Show InChI InChI=1S/C24H28N8O/c33-18-4-1-16(2-5-18)32-21-15-26-8-7-19(21)20-14-28-24(30-23(20)32)29-22-6-3-17(13-27-22)31-11-9-25-10-12-31/h3,6-8,13-16,18,25,33H,1-2,4-5,9-12H2,(H,27,28,29,30)/t16-,18- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001542
(CHEMBL3237707)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(45.37,-36.01,;44.9,-34.54,;45.94,-33.4,;45.47,-31.93,;43.97,-31.61,;42.93,-32.75,;43.4,-34.21,;43.49,-30.15,;44.4,-28.9,;45.93,-28.74,;46.56,-27.34,;45.65,-26.08,;44.12,-26.25,;43.5,-27.65,;42.03,-28.12,;40.68,-27.36,;39.36,-28.13,;39.37,-29.66,;38.04,-30.44,;38.04,-31.98,;39.37,-32.73,;39.38,-34.27,;38.05,-35.05,;36.71,-34.28,;36.71,-32.74,;38.06,-36.59,;36.72,-37.36,;36.73,-38.89,;38.06,-39.67,;39.39,-38.89,;39.39,-37.35,;40.7,-30.43,;42.02,-29.67,)| Show InChI InChI=1S/C24H29N9/c1-16-2-4-17(5-3-16)33-20-15-26-9-8-18(20)19-14-27-24(29-23(19)33)28-21-6-7-22(31-30-21)32-12-10-25-11-13-32/h6-9,14-17,25H,2-5,10-13H2,1H3,(H,27,28,29,30)/t16-,17- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001578
(CHEMBL3237713)Show SMILES C[C@@H](O)CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)nn1 |r,wU:28.29,1.0,wD:31.33,(19.97,-71.17,;19.95,-72.71,;21.28,-73.5,;18.61,-73.46,;17.29,-72.68,;15.94,-73.43,;17.3,-71.14,;15.98,-70.35,;16,-68.81,;17.34,-68.07,;18.67,-68.84,;18.65,-70.38,;17.35,-66.53,;18.69,-65.77,;18.7,-64.24,;17.39,-63.47,;17.4,-61.93,;18.73,-61.16,;18.72,-59.63,;20.05,-58.85,;21.39,-59.62,;22.86,-59.14,;23.49,-57.74,;25.02,-57.58,;25.93,-58.83,;25.3,-60.24,;23.77,-60.39,;22.86,-61.64,;23.33,-63.11,;24.84,-63.42,;25.31,-64.9,;24.27,-66.04,;24.74,-67.5,;22.76,-65.71,;22.3,-64.25,;21.39,-61.16,;20.07,-61.93,;16.05,-64.22,;16.03,-65.75,)| Show InChI InChI=1S/C29H39N9O/c1-19-4-6-22(7-5-19)38-25-17-30-13-10-23(25)24-16-31-29(33-28(24)38)32-26-8-9-27(35-34-26)37-14-11-21(12-15-37)36(3)18-20(2)39/h8-10,13,16-17,19-22,39H,4-7,11-12,14-15,18H2,1-3H3,(H,31,32,33,34)/t19-,20-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001538
(CHEMBL3237703)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(47.68,-57.06,;47.21,-55.59,;48.24,-54.45,;47.78,-52.99,;46.29,-52.68,;45.25,-53.81,;45.71,-55.26,;45.82,-51.22,;46.72,-49.97,;48.26,-49.81,;48.89,-48.4,;47.98,-47.15,;46.45,-47.31,;45.82,-48.71,;44.35,-49.19,;43,-48.42,;41.68,-49.2,;41.69,-50.73,;40.36,-51.51,;40.36,-53.05,;41.7,-53.81,;41.7,-55.37,;40.36,-56.14,;39.03,-55.37,;39.03,-53.82,;40.36,-57.68,;39.02,-58.45,;39.02,-59.98,;40.35,-60.76,;41.69,-59.99,;41.7,-58.45,;43.02,-51.51,;44.34,-50.74,)| Show InChI InChI=1S/C25H30N8/c1-17-2-4-18(5-3-17)33-22-16-27-9-8-20(22)21-15-29-25(31-24(21)33)30-23-7-6-19(14-28-23)32-12-10-26-11-13-32/h6-9,14-18,26H,2-5,10-13H2,1H3,(H,28,29,30,31)/t17-,18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001580
(CHEMBL3237715)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CS(C)(=O)=O)CC3)nc12 |r,wU:4.7,wD:1.0,(9.65,-57.17,;9.18,-55.71,;10.22,-54.56,;9.75,-53.09,;8.24,-52.78,;7.21,-53.92,;7.68,-55.38,;7.77,-51.31,;8.68,-50.06,;10.21,-49.91,;10.84,-48.5,;9.93,-47.25,;8.4,-47.41,;7.78,-48.81,;6.31,-49.28,;4.96,-48.52,;3.64,-49.3,;3.65,-50.83,;2.32,-51.6,;2.3,-53.14,;3.62,-53.91,;3.61,-55.44,;2.27,-56.2,;.95,-55.42,;.97,-53.89,;2.26,-57.75,;.92,-58.5,;.9,-60.03,;2.23,-60.82,;2.21,-62.36,;3.53,-63.15,;4.87,-62.4,;2.75,-64.47,;4.29,-64.47,;3.57,-60.07,;3.59,-58.52,;4.98,-51.6,;6.3,-50.83,)| Show InChI InChI=1S/C27H34N8O2S/c1-18-3-5-20(6-4-18)35-23-16-28-12-9-21(23)22-15-29-27(31-26(22)35)30-24-7-8-25(33-32-24)34-13-10-19(11-14-34)17-38(2,36)37/h7-9,12,15-16,18-20H,3-6,10-11,13-14,17H2,1-2H3,(H,29,30,31,32)/t18-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001579
(CHEMBL3237714)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCN(CC3)C(=O)CO)nc12 |r,wU:4.7,wD:1.0,(38.73,-67.78,;38.26,-66.31,;39.3,-65.17,;38.83,-63.7,;37.32,-63.38,;36.29,-64.52,;36.76,-65.98,;36.85,-61.92,;37.76,-60.67,;39.29,-60.51,;39.92,-59.1,;39.01,-57.85,;37.48,-58.01,;36.86,-59.41,;35.39,-59.89,;34.04,-59.12,;32.71,-59.9,;32.73,-61.43,;31.4,-62.21,;31.38,-63.74,;32.69,-64.51,;32.68,-66.04,;31.35,-66.8,;30.03,-66.02,;30.04,-64.49,;31.33,-68.34,;29.99,-69.09,;29.97,-70.62,;31.3,-71.41,;32.64,-70.65,;32.66,-69.11,;31.28,-72.95,;29.93,-73.7,;32.6,-73.73,;33.94,-72.98,;34.06,-62.2,;35.38,-61.43,)| Show InChI InChI=1S/C26H31N9O2/c1-17-2-4-18(5-3-17)35-21-15-27-9-8-19(21)20-14-28-26(30-25(20)35)29-22-6-7-23(32-31-22)33-10-12-34(13-11-33)24(37)16-36/h6-9,14-15,17-18,36H,2-5,10-13,16H2,1H3,(H,28,29,30,31)/t17-,18- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001580
(CHEMBL3237715)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CS(C)(=O)=O)CC3)nc12 |r,wU:4.7,wD:1.0,(9.65,-57.17,;9.18,-55.71,;10.22,-54.56,;9.75,-53.09,;8.24,-52.78,;7.21,-53.92,;7.68,-55.38,;7.77,-51.31,;8.68,-50.06,;10.21,-49.91,;10.84,-48.5,;9.93,-47.25,;8.4,-47.41,;7.78,-48.81,;6.31,-49.28,;4.96,-48.52,;3.64,-49.3,;3.65,-50.83,;2.32,-51.6,;2.3,-53.14,;3.62,-53.91,;3.61,-55.44,;2.27,-56.2,;.95,-55.42,;.97,-53.89,;2.26,-57.75,;.92,-58.5,;.9,-60.03,;2.23,-60.82,;2.21,-62.36,;3.53,-63.15,;4.87,-62.4,;2.75,-64.47,;4.29,-64.47,;3.57,-60.07,;3.59,-58.52,;4.98,-51.6,;6.3,-50.83,)| Show InChI InChI=1S/C27H34N8O2S/c1-18-3-5-20(6-4-18)35-23-16-28-12-9-21(23)22-15-29-27(31-26(22)35)30-24-7-8-25(33-32-24)34-13-10-19(11-14-34)17-38(2,36)37/h7-9,12,15-16,18-20H,3-6,10-11,13-14,17H2,1-2H3,(H,29,30,31,32)/t18-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001585
(CHEMBL3237443 | US8841312, 57)Show SMILES Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12 Show InChI InChI=1S/C23H25FN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 in human MOLM13 cells assessed as inhibition of Rb phosphorylation at Ser780 after 24 hrs |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50001583
(CHEMBL3237718)Show SMILES COc1nc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)ccc1N1CCC2(CCC(=O)N2)CC1 |r,wU:17.17,wD:20.21,(36.2,-55.73,;37.53,-56.52,;38.87,-55.76,;38.89,-54.23,;40.23,-53.48,;40.24,-51.95,;41.57,-51.18,;41.56,-49.64,;42.89,-48.87,;44.23,-49.63,;45.7,-49.16,;46.33,-47.76,;47.86,-47.59,;48.77,-48.84,;48.14,-50.25,;46.6,-50.41,;45.7,-51.66,;46.17,-53.12,;47.67,-53.44,;48.14,-54.91,;47.11,-56.05,;47.58,-57.52,;45.6,-55.72,;45.13,-54.26,;44.23,-51.18,;42.9,-51.95,;41.54,-54.25,;41.53,-55.78,;40.19,-56.54,;40.18,-58.07,;38.84,-58.83,;38.82,-60.36,;40.14,-61.15,;38.9,-62.06,;39.37,-63.52,;40.91,-63.52,;41.82,-64.77,;41.39,-62.06,;41.49,-60.4,;41.51,-58.85,)| Show InChI InChI=1S/C30H36N8O2/c1-19-3-5-20(6-4-19)38-24-18-31-14-10-21(24)22-17-32-29(35-27(22)38)34-25-8-7-23(28(33-25)40-2)37-15-12-30(13-16-37)11-9-26(39)36-30/h7-8,10,14,17-20H,3-6,9,11-13,15-16H2,1-2H3,(H,36,39)(H,32,33,34,35)/t19-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001584
(CHEMBL3237442 | US8841312, 1)Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 Show InChI InChI=1S/C23H26N8/c1-2-4-16(3-1)31-20-15-25-8-7-18(20)19-14-27-23(29-22(19)31)28-21-6-5-17(13-26-21)30-11-9-24-10-12-30/h5-8,13-16,24H,1-4,9-12H2,(H,26,27,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001539
(CHEMBL3237704 | US8841312, 204)Show SMILES CC1(C)CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 Show InChI InChI=1S/C26H32N8/c1-26(2)8-5-18(6-9-26)34-22-17-28-10-7-20(22)21-16-30-25(32-24(21)34)31-23-4-3-19(15-29-23)33-13-11-27-12-14-33/h3-4,7,10,15-18,27H,5-6,8-9,11-14H2,1-2H3,(H,29,30,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
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