BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1065 hits with Last Name = 'lee' and Initial = 'sd'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075473
PNG
(CHEMBL3415305)
Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,19:20:27:23.24.25|
Show InChI InChI=1S/C24H35ClN2O2.ClH/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24;/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29);1H
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.0600n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50370300
PNG
(CHEMBL4165149)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C32H31N5O4S/c1-35(2)26-10-6-24(7-11-26)32(38)36-18-15-27(16-19-36)37-22-34-21-30(37)23-8-12-28(13-9-23)41-42(39,40)31-5-3-4-25-20-33-17-14-29(25)31/h3-14,17,20-22,27H,15-16,18-19H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake

Eur J Med Chem 151: 462-481 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50370300
PNG
(CHEMBL4165149)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C32H31N5O4S/c1-35(2)26-10-6-24(7-11-26)32(38)36-18-15-27(16-19-36)37-22-34-21-30(37)23-8-12-28(13-9-23)41-42(39,40)31-5-3-4-25-20-33-17-14-29(25)31/h3-14,17,20-22,27H,15-16,18-19H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075473
PNG
(CHEMBL3415305)
Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,19:20:27:23.24.25|
Show InChI InChI=1S/C24H35ClN2O2.ClH/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24;/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29);1H
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.230n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM144315
PNG
(Gilteritinib | US11512074, Example T-9 | US8969336...)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1
Show InChI InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 0.290n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 expressed in human SEMK2 cells assessed as reduction in FLT3 phosphorylation incubated for 1 hr by immunoblotting analysis

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50564363
PNG
(CHEMBL4791998)
Show SMILES Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.320n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant in presence of ATP

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50536405
PNG
(CHEMBL4521847)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C31H28N4O6S2/c1-42(37,38)27-11-7-23(8-12-27)31(36)34-17-14-25(15-18-34)35-21-33-20-29(35)22-5-9-26(10-6-22)41-43(39,40)30-4-2-3-24-19-32-16-13-28(24)30/h2-13,16,19-21,25H,14-15,17-18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.320n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50536370
PNG
(CHEMBL4582650)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C(=O)NC2CC2)cc1
Show InChI InChI=1S/C33H35N5O5S/c1-36(2)27-12-6-24(7-13-27)33(40)37-18-16-28(17-19-37)38-22-34-21-31(38)23-8-14-29(15-9-23)43-44(41,42)30-5-3-4-25(20-30)32(39)35-26-10-11-26/h3-9,12-15,20-22,26,28H,10-11,16-19H2,1-2H3,(H,35,39)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.490n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50564363
PNG
(CHEMBL4791998)
Show SMILES Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.870n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 expressed in baculovirus expression system using peptide substrate incubated for 30 mins in presence ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50536370
PNG
(CHEMBL4582650)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C(=O)NC2CC2)cc1
Show InChI InChI=1S/C33H35N5O5S/c1-36(2)27-12-6-24(7-13-27)33(40)37-18-16-28(17-19-37)38-22-34-21-31(38)23-8-14-29(15-9-23)43-44(41,42)30-5-3-4-25(20-30)32(39)35-26-10-11-26/h3-9,12-15,20-22,26,28H,10-11,16-19H2,1-2H3,(H,35,39)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 autophosphorylation in human RS4-11 cells preincubated for 2 hrs followed by FLT3 ligand addition and measured after 15 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50564363
PNG
(CHEMBL4791998)
Show SMILES Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RET in presence of ATP

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50386567
PNG
(CHEMBL2048437)
Show SMILES Clc1cncc(Cl)c1NNC(=O)C1C2CC3CC(C2)C(Br)C1C3 |TLB:22:21:16.15.14:18,20:19:16:14.13.18,20:19:16.15.14:18,THB:10:12:16.15.14:18,22:15:18:19.21.12,20:19:16.15.22:13.18.12,12:21:16:14.13.18,12:13:16:19.22.21|
Show InChI InChI=1S/C16H18BrCl2N3O/c17-14-9-2-7-1-8(4-9)13(10(14)3-7)16(23)22-21-15-11(18)5-20-6-12(15)19/h5-10,13-14H,1-4H2,(H,20,21)(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced IL8 release pretreated for 30 mins before bzAT...

J Med Chem 55: 3687-98 (2012)


Article DOI: 10.1021/jm2012326
BindingDB Entry DOI: 10.7270/Q21G0NB3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM185149
PNG
(1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...)
Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 (unknown origin)

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50536393
PNG
(CHEMBL4561852)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C33H32N6O6S/c1-36(2)26-10-8-24(9-11-26)32(41)38-18-16-37(17-19-38)31-20-30(40)35-33(42)39(31)22-23-6-12-27(13-7-23)45-46(43,44)29-5-3-4-25-21-34-15-14-28(25)29/h3-15,20-21H,16-19,22H2,1-2H3,(H,35,40,42)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50536393
PNG
(CHEMBL4561852)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C33H32N6O6S/c1-36(2)26-10-8-24(9-11-26)32(41)38-18-16-37(17-19-38)31-20-30(40)35-33(42)39(31)22-23-6-12-27(13-7-23)45-46(43,44)29-5-3-4-25-21-34-15-14-28(25)29/h3-15,20-21H,16-19,22H2,1-2H3,(H,35,40,42)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50370240
PNG
(CHEMBL4171354)
Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)|
Show InChI InChI=1S/C24H35ClN2O2/c25-23-5-4-16(3-1-6-26-7-2-8-28)14-21(23)24(29)27-15-22-19-10-17-9-18(12-19)13-20(22)11-17/h4-5,14,17-20,22,26,28H,1-3,6-13,15H2,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake

Eur J Med Chem 151: 462-481 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50536383
PNG
(CHEMBL4584526)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C30H25N5O6S/c36-30(22-4-8-25(9-5-22)35(37)38)33-16-13-24(14-17-33)34-20-32-19-28(34)21-6-10-26(11-7-21)41-42(39,40)29-3-1-2-23-18-31-15-12-27(23)29/h1-12,15,18-20,24H,13-14,16-17H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50317169
PNG
((2'Z,3'E)-5-Nitro-5'-fluoro-indirubin-3'-oxime | C...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[c-](-c3[nH]c4ccc(F)cc4c3N=[OH+])c2c1 |(19.84,4.61,;18.7,3.57,;17.23,4.04,;19.03,2.07,;20.5,1.6,;20.83,.09,;19.69,-.94,;19.69,-2.48,;18.22,-2.96,;17.74,-4.42,;17.32,-1.71,;15.78,-1.71,;14.87,-2.97,;13.39,-2.49,;12.06,-3.26,;10.72,-2.49,;10.73,-.94,;9.39,-.17,;12.05,-.17,;13.39,-.93,;14.87,-.45,;15.34,1.01,;16.85,1.33,;18.22,-.46,;17.9,1.03,)|
Show InChI InChI=1S/C16H8FN4O4/c17-7-1-3-12-10(5-7)14(20-23)15(18-12)13-9-6-8(21(24)25)2-4-11(9)19-16(13)22/h1-6,18H,(H,19,22)/q-1/p+1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E

J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
BindingDB Entry DOI: 10.7270/Q2X92BFT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50317171
PNG
((2'Z,3'E)-5-Fluoro-5'-fluoro-indirubin-3'-oxime | ...)
Show SMILES Fc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(F)cc2c1N=O
Show InChI InChI=1S/C16H9F2N3O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)15-14(21-23)10-6-8(18)2-4-12(10)19-15/h1-6,13,19H,(H,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E

J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
BindingDB Entry DOI: 10.7270/Q2X92BFT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50536367
PNG
(CHEMBL4560935)
Show SMILES CNC(=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H26ClF3N4O5S/c1-35-28(39)20-3-2-4-24(15-20)44(41,42)43-23-8-5-19(6-9-23)27-17-36-18-38(27)22-11-13-37(14-12-22)29(40)21-7-10-26(31)25(16-21)30(32,33)34/h2-10,15-18,22H,11-14H2,1H3,(H,35,39)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50317161
PNG
((2'Z,3'E)-5-Nitro-5'-hydroxy-indirubin-3'-oxime | ...)
Show SMILES Oc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-8.68,.59,;-7.35,-.18,;-7.35,-1.72,;-6.01,-2.49,;-4.68,-1.72,;-3.21,-2.2,;-2.29,-.95,;-3.21,.31,;-2.73,1.77,;-1.22,2.09,;-4.68,-.17,;-6.02,.59,;-.75,-.95,;.15,.3,;-.18,1.8,;.96,2.83,;2.43,2.36,;2.75,.85,;1.61,-.18,;1.61,-1.72,;.15,-2.19,;-.33,-3.66,;.63,4.33,;1.77,5.37,;-.84,4.8,)|
Show InChI InChI=1S/C16H9N4O5/c21-8-2-4-12-10(6-8)14(19-23)15(17-12)13-9-5-7(20(24)25)1-3-11(9)18-16(13)22/h1-6,17,21H,(H,18,22)/q-1/p+1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E

J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
BindingDB Entry DOI: 10.7270/Q2X92BFT
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50564363
PNG
(CHEMBL4791998)
Show SMILES Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TrkB in presence of ATP

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50370240
PNG
(CHEMBL4171354)
Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)|
Show InChI InChI=1S/C24H35ClN2O2/c25-23-5-4-16(3-1-6-26-7-2-8-28)14-21(23)24(29)27-15-22-19-10-17-9-18(12-19)13-20(22)11-17/h4-5,14,17-20,22,26,28H,1-3,6-13,15H2,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...

Eur J Med Chem 151: 462-481 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50564373
PNG
(CHEMBL4093032)
Show SMILES Cl.COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCN(C)CC3)c2c1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 expressed in baculovirus expression system using peptide substrate incubated for 30 mins in presence ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50370300
PNG
(CHEMBL4165149)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C32H31N5O4S/c1-35(2)26-10-6-24(7-11-26)32(38)36-18-15-27(16-19-36)37-22-34-21-30(37)23-8-12-28(13-9-23)41-42(39,40)31-5-3-4-25-20-33-17-14-29(25)31/h3-14,17,20-22,27H,15-16,18-19H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50317163
PNG
((2'Z,3'E)-5-Fluoro-5'-hydroxy-indirubin-3'-oxime |...)
Show SMILES Oc1ccc2[nH]c(C3C(=O)Nc4ccc(F)cc34)c(N=O)c2c1
Show InChI InChI=1S/C16H10FN3O3/c17-7-1-3-11-9(5-7)13(16(22)19-11)15-14(20-23)10-6-8(21)2-4-12(10)18-15/h1-6,13,18,21H,(H,19,22)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E

J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
BindingDB Entry DOI: 10.7270/Q2X92BFT
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50564368
PNG
(CHEMBL4781746)
Show SMILES Cl.O=C1Nc2ccccc2\C1=C1\Nc2ccccc2\C\1=N/OCCN1CCNCC1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 expressed in baculovirus expression system using peptide substrate incubated for 30 mins in presence ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50564376
PNG
(CHEMBL4781229 | US11370779, Compound 4)
Show SMILES COC(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human FLT3 using peptide substrate in presence of ATP by HTRF assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 expressed in baculovirus expression system using peptide substrate incubated for 30 mins in presence ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50370186
PNG
(CHEMBL4159914)
Show SMILES OCc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:16:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
Show InChI InChI=1S/C28H30N2O2/c31-17-18-4-6-22(7-5-18)24-9-8-23-25(29-24)2-1-3-26(23)30-27(32)16-28-13-19-10-20(14-28)12-21(11-19)15-28/h1-9,19-21,31H,10-17H2,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...

Eur J Med Chem 151: 462-481 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))		BDBM50564363
PNG
(CHEMBL4791998)
Show SMILES Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MER in presence of ATP

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50370240
PNG
(CHEMBL4171354)
Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)|
Show InChI InChI=1S/C24H35ClN2O2/c25-23-5-4-16(3-1-6-26-7-2-8-28)14-21(23)24(29)27-15-22-19-10-17-9-18(12-19)13-20(22)11-17/h4-5,14,17-20,22,26,28H,1-3,6-13,15H2,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...

Eur J Med Chem 151: 462-481 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50564364
PNG
(CHEMBL4779016)
Show SMILES Cl.CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3ccc(F)cc23)CC1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 expressed in baculovirus expression system using peptide substrate incubated for 30 mins in presence ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352039
PNG
(CHEMBL1823817)
Show SMILES COC[C@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O |r|
Show InChI InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50370305
PNG
(CHEMBL4175875)
Show SMILES Clc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:9:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
Show InChI InChI=1S/C21H23ClN2O/c22-19-5-4-16-17(23-19)2-1-3-18(16)24-20(25)12-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15H,6-12H2,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...

Eur J Med Chem 151: 462-481 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352039
PNG
(CHEMBL1823817)
Show SMILES COC[C@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O |r|
Show InChI InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake

Eur J Med Chem 151: 462-481 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50564363
PNG
(CHEMBL4791998)
Show SMILES Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FMS in presence of ATP

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50536366
PNG
(CHEMBL4529050)
Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C29H22ClF3N4O4S/c30-26-9-6-21(15-25(26)29(31,32)33)28(38)36-12-10-22(11-13-36)37-18-35-17-27(37)20-4-7-23(8-5-20)41-42(39,40)24-3-1-2-19(14-24)16-34/h1-9,14-15,17-18,22H,10-13H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50536406
PNG
(CHEMBL4573595)
Show SMILES CC(C)(O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C33H32N4O5S/c1-33(2,39)26-10-6-24(7-11-26)32(38)36-18-15-27(16-19-36)37-22-35-21-30(37)23-8-12-28(13-9-23)42-43(40,41)31-5-3-4-25-20-34-17-14-29(25)31/h3-14,17,20-22,27,39H,15-16,18-19H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50386567
PNG
(CHEMBL2048437)
Show SMILES Clc1cncc(Cl)c1NNC(=O)C1C2CC3CC(C2)C(Br)C1C3 |TLB:22:21:16.15.14:18,20:19:16:14.13.18,20:19:16.15.14:18,THB:10:12:16.15.14:18,22:15:18:19.21.12,20:19:16.15.22:13.18.12,12:21:16:14.13.18,12:13:16:19.22.21|
Show InChI InChI=1S/C16H18BrCl2N3O/c17-14-9-2-7-1-8(4-9)13(10(14)3-7)16(23)22-21-15-11(18)5-20-6-12(15)19/h5-10,13-14H,1-4H2,(H,20,21)(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by f...

J Med Chem 55: 3687-98 (2012)


Article DOI: 10.1021/jm2012326
BindingDB Entry DOI: 10.7270/Q21G0NB3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50423773
PNG
(A-1544750 | CEP-701 | KT-5555 | LESTAURTINIB | SP9...)
Show SMILES C[C@]12O[C@@H](C[C@@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18?,25-,26+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay

Bioorg Med Chem Lett 20: 2033-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.039
BindingDB Entry DOI: 10.7270/Q29W0GF0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50320578
PNG
(CHEMBL1165545 | N-[(1S,2R)-1-Benzyl-2-hydroxy-3-(3...)
Show SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
Show InChI InChI=1S/C30H35F3N4O4S/c1-2-34-25-16-22(17-26(19-25)37-13-6-7-14-42(37,40)41)29(39)36-27(15-21-9-4-3-5-10-21)28(38)20-35-24-12-8-11-23(18-24)30(31,32)33/h3-5,8-12,16-19,27-28,34-35,38H,2,6-7,13-15,20H2,1H3,(H,36,39)/t27-,28+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of BACE1

Eur J Med Chem 45: 2578-90 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.046
BindingDB Entry DOI: 10.7270/Q23778WK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50317162
PNG
((2'Z,3'E)-5-Chloro-5'-hydroxy-indirubin-3'-oxime |...)
Show SMILES Oc1ccc2[nH]c(C3C(=O)Nc4ccc(Cl)cc34)c(N=O)c2c1
Show InChI InChI=1S/C16H10ClN3O3/c17-7-1-3-11-9(5-7)13(16(22)19-11)15-14(20-23)10-6-8(21)2-4-12(10)18-15/h1-6,13,18,21H,(H,19,22)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E

J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
BindingDB Entry DOI: 10.7270/Q2X92BFT
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM50564363
PNG
(CHEMBL4791998)
Show SMILES Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MELK in presence of ATP

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50564375
PNG
(CHEMBL4795997)
Show SMILES Cl.CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3ccc(OC(F)(F)F)cc23)CC1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 expressed in baculovirus expression system using peptide substrate incubated for 30 mins in presence ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50370309
PNG
(CHEMBL4175330)
Show SMILES Oc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
Show InChI InChI=1S/C27H28N2O2/c30-21-6-4-20(5-7-21)23-9-8-22-24(28-23)2-1-3-25(22)29-26(31)16-27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19,30H,10-16H2,(H,29,31)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...

Eur J Med Chem 151: 462-481 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50564363
PNG
(CHEMBL4791998)
Show SMILES Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TrkA in presence of ATP

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50536402
PNG
(CHEMBL4594110)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2cc(OS(=O)(=O)c3cccc4cnccc34)ccc2[nH]1
Show InChI InChI=1S/C29H26N4O6S2/c1-40(35,36)23-8-5-20(6-9-23)29(34)33-15-12-19(13-16-33)28-31-25-10-7-22(17-26(25)32-28)39-41(37,38)27-4-2-3-21-18-30-14-11-24(21)27/h2-11,14,17-19H,12-13,15-16H2,1H3,(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50370305
PNG
(CHEMBL4175875)
Show SMILES Clc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:9:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
Show InChI InChI=1S/C21H23ClN2O/c22-19-5-4-16-17(23-19)2-1-3-18(16)24-20(25)12-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15H,6-12H2,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...

Eur J Med Chem 151: 462-481 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1065 total )  |  Next  |  Last  >>
Jump to: