BindingDB logo
myBDB logout

32 similar compounds to monomer 50154897

Compile data set for download or QSAR
Wt: 518.3
BDBM50154821
Wt: 512.4
BDBM50154822
Wt: 482.3
BDBM50154824
Wt: 488.5
BDBM50154859
Wt: 488.5
BDBM50154860
Wt: 383.4
BDBM50154808
Wt: 500.3
BDBM50154813
Wt: 500.3
BDBM50154814
Wt: 464.3
BDBM50154818
Wt: 494.4
BDBM50154815
Wt: 482.3
BDBM50154816
Wt: 482.3
BDBM50154817
Wt: 496.5
BDBM50154853
Wt: 505.5
BDBM50154877
Wt: 451.5
BDBM50154880
Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50154821,50154822,50154824,50154859,50154860,50154808,50154813,50154814,50154818,50154815,50154816,50154817,50154853,50154877,50154880   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154877
PNG
(CHEMBL3774621)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2OC(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7OS/c1-31-21(17-13-27-8-9-28-17)29-30-22(31)35-12-4-10-32-14-16-7-11-33(19(16)15-32)18-5-2-3-6-20(18)34-23(24,25)26/h2-3,5-6,8-9,13,16,19H,4,7,10-12,14-15H2,1H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.794n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154859
PNG
(CHEMBL3775554)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccccn1
Show InChI InChI=1S/C24H27F3N6S/c1-31-22(20-5-2-3-11-28-20)29-30-23(31)34-14-4-12-32-15-17-10-13-33(21(17)16-32)19-8-6-18(7-9-19)24(25,26)27/h2-3,5-9,11,17,21H,4,10,12-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154860
PNG
(CHEMBL3774490)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1
Show InChI InChI=1S/C24H27F3N6S/c1-31-22(17-7-10-28-11-8-17)29-30-23(31)34-14-2-12-32-15-18-9-13-33(21(18)16-32)20-5-3-19(4-6-20)24(25,26)27/h3-8,10-11,18,21H,2,9,12-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154880
PNG
(CHEMBL3775618)
Show SMILES COc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C23H29N7OS/c1-28-22(18-14-24-9-10-25-18)26-27-23(28)32-13-5-11-29-15-17-8-12-30(20(17)16-29)19-6-3-4-7-21(19)31-2/h3-4,6-7,9-10,14,17,20H,5,8,11-13,15-16H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154877
PNG
(CHEMBL3774621)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2OC(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7OS/c1-31-21(17-13-27-8-9-28-17)29-30-22(31)35-12-4-10-32-14-16-7-11-33(19(16)15-32)18-5-2-3-6-20(18)34-23(24,25)26/h2-3,5-6,8-9,13,16,19H,4,7,10-12,14-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154880
PNG
(CHEMBL3775618)
Show SMILES COc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C23H29N7OS/c1-28-22(18-14-24-9-10-25-18)26-27-23(28)32-13-5-11-29-15-17-8-12-30(20(17)16-29)19-6-3-4-7-21(19)31-2/h3-4,6-7,9-10,14,17,20H,5,8,11-13,15-16H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
316n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154860
PNG
(CHEMBL3774490)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1
Show InChI InChI=1S/C24H27F3N6S/c1-31-22(17-7-10-28-11-8-17)29-30-23(31)34-14-2-12-32-15-18-9-13-33(21(18)16-32)20-5-3-19(4-6-20)24(25,26)27/h3-8,10-11,18,21H,2,9,12-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
398n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154859
PNG
(CHEMBL3775554)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccccn1
Show InChI InChI=1S/C24H27F3N6S/c1-31-22(20-5-2-3-11-28-20)29-30-23(31)34-14-4-12-32-15-17-10-13-33(21(17)16-32)19-8-6-18(7-9-19)24(25,26)27/h2-3,5-9,11,17,21H,4,10,12-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
398n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
501n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154824
PNG
(CHEMBL3774954)
Show SMILES Fc1cc(NC(=O)c2nnn(c2C(F)(F)F)-c2ccccc2)ccc1Oc1ccnc2[nH]ccc12
Show InChI InChI=1S/C23H14F4N6O2/c24-16-12-13(6-7-18(16)35-17-9-11-29-21-15(17)8-10-28-21)30-22(34)19-20(23(25,26)27)33(32-31-19)14-4-2-1-3-5-14/h1-12H,(H,28,29)(H,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154814
PNG
(CHEMBL3775648)
Show SMILES Fc1ccc(cc1F)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)cc2)c1C(F)(F)F
Show InChI InChI=1S/C23H13F5N6O2/c24-16-6-3-13(11-17(16)25)34-20(23(26,27)28)19(32-33-34)22(35)31-12-1-4-14(5-2-12)36-18-8-10-30-21-15(18)7-9-29-21/h1-11H,(H,29,30)(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154813
PNG
(CHEMBL3774451)
Show SMILES Fc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C23H13F5N6O2/c24-12-1-4-14(5-2-12)34-20(23(26,27)28)19(32-33-34)22(35)31-13-3-6-18(16(25)11-13)36-17-8-10-30-21-15(17)7-9-29-21/h1-11H,(H,29,30)(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 582n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50154813
PNG
(CHEMBL3774451)
Show SMILES Fc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C23H13F5N6O2/c24-12-1-4-14(5-2-12)34-20(23(26,27)28)19(32-33-34)22(35)31-13-3-6-18(16(25)11-13)36-17-8-10-30-21-15(17)7-9-29-21/h1-11H,(H,29,30)(H,31,35)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 325n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cKit (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50154813
PNG
(CHEMBL3774451)
Show SMILES Fc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C23H13F5N6O2/c24-12-1-4-14(5-2-12)34-20(23(26,27)28)19(32-33-34)22(35)31-13-3-6-18(16(25)11-13)36-17-8-10-30-21-15(17)7-9-29-21/h1-11H,(H,29,30)(H,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 86n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50154813
PNG
(CHEMBL3774451)
Show SMILES Fc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C23H13F5N6O2/c24-12-1-4-14(5-2-12)34-20(23(26,27)28)19(32-33-34)22(35)31-13-3-6-18(16(25)11-13)36-17-8-10-30-21-15(17)7-9-29-21/h1-11H,(H,29,30)(H,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50154813
PNG
(CHEMBL3774451)
Show SMILES Fc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C23H13F5N6O2/c24-12-1-4-14(5-2-12)34-20(23(26,27)28)19(32-33-34)22(35)31-13-3-6-18(16(25)11-13)36-17-8-10-30-21-15(17)7-9-29-21/h1-11H,(H,29,30)(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50154808
PNG
(CHEMBL3774722)
Show SMILES OC(=O)Cc1ccc(=O)n(Cc2ccccc2S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H17NO5S/c22-19-11-10-15(12-20(23)24)13-21(19)14-16-6-4-5-9-18(16)27(25,26)17-7-2-1-3-8-17/h1-11,13H,12,14H2,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [35S]-GTPgammaS from CRTH2 receptor (unknown origin) expressed in CHOK1 cell membrane after 1 hr by liquid scintillation counter


Eur J Med Chem 113: 102-33 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.023
BindingDB Entry DOI: 10.7270/Q2K64KXM
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154859
PNG
(CHEMBL3775554)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccccn1
Show InChI InChI=1S/C24H27F3N6S/c1-31-22(20-5-2-3-11-28-20)29-30-23(31)34-14-4-12-32-15-17-10-13-33(21(17)16-32)19-8-6-18(7-9-19)24(25,26)27/h2-3,5-9,11,17,21H,4,10,12-16H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 158n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154860
PNG
(CHEMBL3774490)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1
Show InChI InChI=1S/C24H27F3N6S/c1-31-22(17-7-10-28-11-8-17)29-30-23(31)34-14-2-12-32-15-18-9-13-33(21(18)16-32)20-5-3-19(4-6-20)24(25,26)27/h3-8,10-11,18,21H,2,9,12-16H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 126n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 501n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154877
PNG
(CHEMBL3774621)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2OC(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7OS/c1-31-21(17-13-27-8-9-28-17)29-30-22(31)35-12-4-10-32-14-16-7-11-33(19(16)15-32)18-5-2-3-6-20(18)34-23(24,25)26/h2-3,5-6,8-9,13,16,19H,4,7,10-12,14-15H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 631n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154880
PNG
(CHEMBL3775618)
Show SMILES COc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C23H29N7OS/c1-28-22(18-14-24-9-10-25-18)26-27-23(28)32-13-5-11-29-15-17-8-12-30(20(17)16-29)19-6-3-4-7-21(19)31-2/h3-4,6-7,9-10,14,17,20H,5,8,11-13,15-16H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154813
PNG
(CHEMBL3774451)
Show SMILES Fc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C23H13F5N6O2/c24-12-1-4-14(5-2-12)34-20(23(26,27)28)19(32-33-34)22(35)31-13-3-6-18(16(25)11-13)36-17-8-10-30-21-15(17)7-9-29-21/h1-11H,(H,29,30)(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154822
PNG
(CHEMBL3774984)
Show SMILES COc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C24H16F4N6O3/c1-36-15-5-3-14(4-6-15)34-21(24(26,27)28)20(32-33-34)23(35)31-13-2-7-19(17(25)12-13)37-18-9-11-30-22-16(18)8-10-29-22/h2-12H,1H3,(H,29,30)(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154821
PNG
(CHEMBL3775126)
Show SMILES Fc1ccc(cc1F)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C23H12F6N6O2/c24-14-3-2-12(10-15(14)25)35-20(23(27,28)29)19(33-34-35)22(36)32-11-1-4-18(16(26)9-11)37-17-6-8-31-21-13(17)5-7-30-21/h1-10H,(H,30,31)(H,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154818
PNG
(CHEMBL3775026)
Show SMILES FC(F)(F)c1c(nnn1-c1ccccc1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)cc1
Show InChI InChI=1S/C23H15F3N6O2/c24-23(25,26)20-19(30-31-32(20)15-4-2-1-3-5-15)22(33)29-14-6-8-16(9-7-14)34-18-11-13-28-21-17(18)10-12-27-21/h1-13H,(H,27,28)(H,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154815
PNG
(CHEMBL3774679)
Show SMILES COc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)cc2)c1C(F)(F)F
Show InChI InChI=1S/C24H17F3N6O3/c1-35-16-8-4-15(5-9-16)33-21(24(25,26)27)20(31-32-33)23(34)30-14-2-6-17(7-3-14)36-19-11-13-29-22-18(19)10-12-28-22/h2-13H,1H3,(H,28,29)(H,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154816
PNG
(CHEMBL3774862)
Show SMILES Fc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)cc2)c1C(F)(F)F
Show InChI InChI=1S/C23H14F4N6O2/c24-13-1-5-15(6-2-13)33-20(23(25,26)27)19(31-32-33)22(34)30-14-3-7-16(8-4-14)35-18-10-12-29-21-17(18)9-11-28-21/h1-12H,(H,28,29)(H,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154817
PNG
(CHEMBL3774870)
Show SMILES Fc1ccccc1-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)cc2)c1C(F)(F)F
Show InChI InChI=1S/C23H14F4N6O2/c24-16-3-1-2-4-17(16)33-20(23(25,26)27)19(31-32-33)22(34)30-13-5-7-14(8-6-13)35-18-10-12-29-21-15(18)9-11-28-21/h1-12H,(H,28,29)(H,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair