Found 138 hits with Last Name = 'kauffman' and Initial = 'gs' 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 |
|---|
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM24855
(4-{1,2-dihydrospiro[indole-3,4'-piperidine]}-7H-py...)Show SMILES N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12 Show InChI InChI=1S/C19H18N6/c20-9-13-10-22-17-16(13)18(24-12-23-17)25-11-19(5-7-21-8-6-19)14-3-1-2-4-15(14)25/h1-4,10,12,21H,5-8,11H2,(H,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP... |
Bioorg Med Chem Lett 18: 3359-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM24848
(5-fluoro-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...)Show InChI InChI=1S/C18H18FN5/c19-12-1-2-15-14(9-12)18(4-7-20-8-5-18)10-24(15)17-13-3-6-21-16(13)22-11-23-17/h1-3,6,9,11,20H,4-5,7-8,10H2,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP... |
Bioorg Med Chem Lett 18: 3359-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM24847
(5-chloro-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...)Show InChI InChI=1S/C18H18ClN5/c19-12-1-2-15-14(9-12)18(4-7-20-8-5-18)10-24(15)17-13-3-6-21-16(13)22-11-23-17/h1-3,6,9,11,20H,4-5,7-8,10H2,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP... |
Bioorg Med Chem Lett 18: 3359-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM24853
(1-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...)Show InChI InChI=1S/C19H21N5/c1-13-10-21-17-16(13)18(23-12-22-17)24-11-19(6-8-20-9-7-19)14-4-2-3-5-15(14)24/h2-5,10,12,20H,6-9,11H2,1H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP... |
Bioorg Med Chem Lett 18: 3359-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM24846
(1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-dihydrospi...)Show InChI InChI=1S/C18H19N5/c1-2-4-15-14(3-1)18(6-9-19-10-7-18)11-23(15)17-13-5-8-20-16(13)21-12-22-17/h1-5,8,12,19H,6-7,9-11H2,(H,20,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP... |
Bioorg Med Chem Lett 18: 3359-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM24852
(1-{5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...)Show InChI InChI=1S/C18H18ClN5/c19-13-9-21-16-15(13)17(23-11-22-16)24-10-18(5-7-20-8-6-18)12-3-1-2-4-14(12)24/h1-4,9,11,20H,5-8,10H2,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP... |
Bioorg Med Chem Lett 18: 3359-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209338
(CHEMBL231102 | N-(2,6-difluorophenyl)-4-(2-methyl-...)Show SMILES Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1OC1CCN(CC1)C(=O)Nc1c(F)cccc1F Show InChI InChI=1S/C30H31F2N7O3/c1-19-15-20(36-29-22-16-27(38-11-13-41-14-12-38)33-17-25(22)34-18-35-29)5-6-26(19)42-21-7-9-39(10-8-21)30(40)37-28-23(31)3-2-4-24(28)32/h2-6,15-18,21H,7-14H2,1H3,(H,37,40)(H,34,35,36) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50526389
(CHEMBL4450081)Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C24H23N3O3/c28-22(26-11-13-27(14-12-26)23(29)24(30)9-10-24)18-7-5-17(6-8-18)20-15-19-3-1-2-4-21(19)25-16-20/h1-8,15-16,30H,9-14H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an... |
Bioorg Med Chem Lett 29: 1001-1006 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.012
BindingDB Entry DOI: 10.7270/Q2CJ8HXW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50526400
(CHEMBL4553437)Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2cnccc2c1 Show InChI InChI=1S/C24H23N3O3/c28-22(26-11-13-27(14-12-26)23(29)24(30)8-9-24)18-3-1-17(2-4-18)19-5-6-21-16-25-10-7-20(21)15-19/h1-7,10,15-16,30H,8-9,11-14H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a... |
Bioorg Med Chem Lett 29: 1001-1006 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.012
BindingDB Entry DOI: 10.7270/Q2CJ8HXW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50526390
(CHEMBL4462401)Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2scnc2c1 Show InChI InChI=1S/C22H21N3O3S/c26-20(24-9-11-25(12-10-24)21(27)22(28)7-8-22)16-3-1-15(2-4-16)17-5-6-19-18(13-17)23-14-29-19/h1-6,13-14,28H,7-12H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a... |
Bioorg Med Chem Lett 29: 1001-1006 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.012
BindingDB Entry DOI: 10.7270/Q2CJ8HXW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50526389
(CHEMBL4450081)Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C24H23N3O3/c28-22(26-11-13-27(14-12-26)23(29)24(30)9-10-24)18-7-5-17(6-8-18)20-15-19-3-1-2-4-21(19)25-16-20/h1-8,15-16,30H,9-14H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a... |
Bioorg Med Chem Lett 29: 1001-1006 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.012
BindingDB Entry DOI: 10.7270/Q2CJ8HXW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50526397
(CHEMBL4440024)Show SMILES Cn1ccc2cc(ccc12)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C1(O)CC1 Show InChI InChI=1S/C24H25N3O3/c1-25-11-8-20-16-19(6-7-21(20)25)17-2-4-18(5-3-17)22(28)26-12-14-27(15-13-26)23(29)24(30)9-10-24/h2-8,11,16,30H,9-10,12-15H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an... |
Bioorg Med Chem Lett 29: 1001-1006 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.012
BindingDB Entry DOI: 10.7270/Q2CJ8HXW |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM24849
(1'-methyl-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-...)Show InChI InChI=1S/C19H21N5/c1-23-10-7-19(8-11-23)12-24(16-5-3-2-4-15(16)19)18-14-6-9-20-17(14)21-13-22-18/h2-6,9,13H,7-8,10-12H2,1H3,(H,20,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12.7 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP... |
Bioorg Med Chem Lett 18: 3359-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209370
(4-(2-methyl-4-(6-(methylamino)pyrido[3,4-d]pyrimid...)Show SMILES CNc1cc2c(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)ncnc2cn1 Show InChI InChI=1S/C27H30N6O2/c1-17-12-19(33-25-21-13-24(28-5)29-14-22(21)31-16-32-25)8-11-23(17)35-20-9-6-18(7-10-20)26(34)30-15-27(2,3)4/h6-14,16H,15H2,1-5H3,(H,28,29)(H,30,34)(H,31,32,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50526400
(CHEMBL4553437)Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2cnccc2c1 Show InChI InChI=1S/C24H23N3O3/c28-22(26-11-13-27(14-12-26)23(29)24(30)8-9-24)18-3-1-17(2-4-18)19-5-6-21-16-25-10-7-20(21)15-19/h1-7,10,15-16,30H,8-9,11-14H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an... |
Bioorg Med Chem Lett 29: 1001-1006 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.012
BindingDB Entry DOI: 10.7270/Q2CJ8HXW |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209341
(4-(2-methyl-4-(6-(2-morpholinoethylamino)pyrido[3,...)Show SMILES Cc1cc(Nc2ncnc3cnc(NCCN4CCOCC4)cc23)ccc1Oc1ccc(cc1)C(=O)NCC(C)(C)C Show InChI InChI=1S/C32H39N7O3/c1-22-17-24(7-10-28(22)42-25-8-5-23(6-9-25)31(40)35-20-32(2,3)4)38-30-26-18-29(34-19-27(26)36-21-37-30)33-11-12-39-13-15-41-16-14-39/h5-10,17-19,21H,11-16,20H2,1-4H3,(H,33,34)(H,35,40)(H,36,37,38) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209340
(4-(2-methyl-4-(6-(4-methylpiperazin-1-yl)pyrido[3,...)Show SMILES CN1CCN(CC1)c1cc2c(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)ncnc2cn1 Show InChI InChI=1S/C31H37N7O2/c1-21-16-23(8-11-27(21)40-24-9-6-22(7-10-24)30(39)33-19-31(2,3)4)36-29-25-17-28(32-18-26(25)34-20-35-29)38-14-12-37(5)13-15-38/h6-11,16-18,20H,12-15,19H2,1-5H3,(H,33,39)(H,34,35,36) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209351
(CHEMBL230575 | N-(3-(4-(4-(1-(3,3-dimethylbutanoyl...)Show SMILES COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)CC(C)(C)C)c(C)c3)c2c1 Show InChI InChI=1S/C32H39N5O4/c1-22-17-24(9-11-28(22)41-25-12-15-37(16-13-25)30(39)19-32(2,3)4)36-31-26-18-23(8-10-27(26)34-21-35-31)7-6-14-33-29(38)20-40-5/h8-11,17-18,21,25H,12-16,19-20H2,1-5H3,(H,33,38)(H,34,35,36) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209338
(CHEMBL231102 | N-(2,6-difluorophenyl)-4-(2-methyl-...)Show SMILES Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1OC1CCN(CC1)C(=O)Nc1c(F)cccc1F Show InChI InChI=1S/C30H31F2N7O3/c1-19-15-20(36-29-22-16-27(38-11-13-41-14-12-38)33-17-25(22)34-18-35-29)5-6-26(19)42-21-7-9-39(10-8-21)30(40)37-28-23(31)3-2-4-24(28)32/h2-6,15-18,21H,7-14H2,1H3,(H,37,40)(H,34,35,36) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50526391
(CHEMBL4529391)Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C23H23N3O3/c27-21(25-11-13-26(14-12-25)22(28)23(29)8-9-23)17-3-1-16(2-4-17)18-5-6-20-19(15-18)7-10-24-20/h1-7,10,15,24,29H,8-9,11-14H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an... |
Bioorg Med Chem Lett 29: 1001-1006 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.012
BindingDB Entry DOI: 10.7270/Q2CJ8HXW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50526391
(CHEMBL4529391)Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C23H23N3O3/c27-21(25-11-13-26(14-12-25)22(28)23(29)8-9-23)17-3-1-16(2-4-17)18-5-6-20-19(15-18)7-10-24-20/h1-7,10,15,24,29H,8-9,11-14H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a... |
Bioorg Med Chem Lett 29: 1001-1006 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.012
BindingDB Entry DOI: 10.7270/Q2CJ8HXW |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209372
(CHEMBL230891 | N-tert-butyl-3-(4-(6-(3-(2-methoxya...)Show SMILES COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(=O)NC(C)(C)C)c(C)c3)c2c1 Show InChI InChI=1S/C32H33N5O4/c1-21-16-24(12-14-28(21)41-25-10-6-9-23(18-25)31(39)37-32(2,3)4)36-30-26-17-22(11-13-27(26)34-20-35-30)8-7-15-33-29(38)19-40-5/h6,9-14,16-18,20H,15,19H2,1-5H3,(H,33,38)(H,37,39)(H,34,35,36) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209371
(CHEMBL228276 | cyclopentyl(4-(2-methyl-4-(6-morpho...)Show SMILES Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1OC1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C29H36N6O3/c1-20-16-22(6-7-26(20)38-23-8-10-35(11-9-23)29(36)21-4-2-3-5-21)33-28-24-17-27(34-12-14-37-15-13-34)30-18-25(24)31-19-32-28/h6-7,16-19,21,23H,2-5,8-15H2,1H3,(H,31,32,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209366
(CHEMBL231101 | N-(2,6-difluorophenyl)-4-(4-(6,7-di...)Show SMILES COc1cc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)c2cc1OC Show InChI InChI=1S/C29H29F2N5O4/c1-17-13-18(34-28-20-14-25(38-2)26(39-3)15-23(20)32-16-33-28)7-8-24(17)40-19-9-11-36(12-10-19)29(37)35-27-21(30)5-4-6-22(27)31/h4-8,13-16,19H,9-12H2,1-3H3,(H,35,37)(H,32,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209348
(1-(4-(4-(6-(2-methoxyethoxy)quinazolin-4-ylamino)-...)Show SMILES COCCOc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)CC(C)(C)C)c(C)c3)c2c1 Show InChI InChI=1S/C29H38N4O4/c1-20-16-21(32-28-24-17-23(36-15-14-35-5)7-8-25(24)30-19-31-28)6-9-26(20)37-22-10-12-33(13-11-22)27(34)18-29(2,3)4/h6-9,16-17,19,22H,10-15,18H2,1-5H3,(H,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50526397
(CHEMBL4440024)Show SMILES Cn1ccc2cc(ccc12)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C1(O)CC1 Show InChI InChI=1S/C24H25N3O3/c1-25-11-8-20-16-19(6-7-21(20)25)17-2-4-18(5-3-17)22(28)26-12-14-27(15-13-26)23(29)24(30)9-10-24/h2-8,11,16,30H,9-10,12-15H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a... |
Bioorg Med Chem Lett 29: 1001-1006 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.012
BindingDB Entry DOI: 10.7270/Q2CJ8HXW |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209368
(CHEMBL398172 | N-(2,6-difluorophenyl)-4-(4-(6-(dim...)Show SMILES CN(C)c1cc2c(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)ncnc2cn1 Show InChI InChI=1S/C28H29F2N7O2/c1-17-13-18(34-27-20-14-25(36(2)3)31-15-23(20)32-16-33-27)7-8-24(17)39-19-9-11-37(12-10-19)28(38)35-26-21(29)5-4-6-22(26)30/h4-8,13-16,19H,9-12H2,1-3H3,(H,35,38)(H,32,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209368
(CHEMBL398172 | N-(2,6-difluorophenyl)-4-(4-(6-(dim...)Show SMILES CN(C)c1cc2c(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)ncnc2cn1 Show InChI InChI=1S/C28H29F2N7O2/c1-17-13-18(34-27-20-14-25(36(2)3)31-15-23(20)32-16-33-27)7-8-24(17)39-19-9-11-37(12-10-19)28(38)35-26-21(29)5-4-6-22(26)30/h4-8,13-16,19H,9-12H2,1-3H3,(H,35,38)(H,32,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209353
(4-(2-methyl-4-(6-morpholinopyrido[3,4-d]pyrimidin-...)Show SMILES Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1Oc1ccc(cc1)C(=O)NCC(C)(C)C Show InChI InChI=1S/C30H34N6O3/c1-20-15-22(7-10-26(20)39-23-8-5-21(6-9-23)29(37)32-18-30(2,3)4)35-28-24-16-27(36-11-13-38-14-12-36)31-17-25(24)33-19-34-28/h5-10,15-17,19H,11-14,18H2,1-4H3,(H,32,37)(H,33,34,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209352
(3,3-dimethyl-1-(4-(2-methyl-4-(6-morpholinopyrido[...)Show SMILES Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1OC1CCN(CC1)C(=O)CC(C)(C)C Show InChI InChI=1S/C29H38N6O3/c1-20-15-21(5-6-25(20)38-22-7-9-35(10-8-22)27(36)17-29(2,3)4)33-28-23-16-26(34-11-13-37-14-12-34)30-18-24(23)31-19-32-28/h5-6,15-16,18-19,22H,7-14,17H2,1-4H3,(H,31,32,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209342
(4-(4-(6-(3-(2-methoxyacetamido)prop-1-ynyl)quinazo...)Show SMILES COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)c2c1 Show InChI InChI=1S/C33H35N5O4/c1-22-17-25(11-15-29(22)42-26-12-9-24(10-13-26)32(40)35-20-33(2,3)4)38-31-27-18-23(8-14-28(27)36-21-37-31)7-6-16-34-30(39)19-41-5/h8-15,17-18,21H,16,19-20H2,1-5H3,(H,34,39)(H,35,40)(H,36,37,38) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209353
(4-(2-methyl-4-(6-morpholinopyrido[3,4-d]pyrimidin-...)Show SMILES Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1Oc1ccc(cc1)C(=O)NCC(C)(C)C Show InChI InChI=1S/C30H34N6O3/c1-20-15-22(7-10-26(20)39-23-8-5-21(6-9-23)29(37)32-18-30(2,3)4)35-28-24-16-27(36-11-13-38-14-12-36)31-17-25(24)33-19-34-28/h5-10,15-17,19H,11-14,18H2,1-4H3,(H,32,37)(H,33,34,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209364
(CHEMBL231302 | N-(2,6-difluorophenyl)-4-(2-methyl-...)Show SMILES CNc1cc2c(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)ncnc2cn1 Show InChI InChI=1S/C27H27F2N7O2/c1-16-12-17(34-26-19-13-24(30-2)31-14-22(19)32-15-33-26)6-7-23(16)38-18-8-10-36(11-9-18)27(37)35-25-20(28)4-3-5-21(25)29/h3-7,12-15,18H,8-11H2,1-2H3,(H,30,31)(H,35,37)(H,32,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50526383
(CHEMBL4575847)Show SMILES Cn1ncc2ccc(cc12)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C1(O)CC1 Show InChI InChI=1S/C23H24N4O3/c1-25-20-14-18(6-7-19(20)15-24-25)16-2-4-17(5-3-16)21(28)26-10-12-27(13-11-26)22(29)23(30)8-9-23/h2-7,14-15,30H,8-13H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an... |
Bioorg Med Chem Lett 29: 1001-1006 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.012
BindingDB Entry DOI: 10.7270/Q2CJ8HXW |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209359
(CHEMBL231205 | N-(2,6-difluorophenyl)-4-(4-(6-(2-m...)Show SMILES COCCOc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)c2c1 Show InChI InChI=1S/C30H31F2N5O4/c1-19-16-20(35-29-23-17-22(40-15-14-39-2)7-8-26(23)33-18-34-29)6-9-27(19)41-21-10-12-37(13-11-21)30(38)36-28-24(31)4-3-5-25(28)32/h3-9,16-18,21H,10-15H2,1-2H3,(H,36,38)(H,33,34,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209363
(CHEMBL228275 | cyclopentyl(4-(4-(6-(2-methoxyethox...)Show SMILES COCCOc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)C4CCCC4)c(C)c3)c2c1 Show InChI InChI=1S/C29H36N4O4/c1-20-17-22(32-28-25-18-24(36-16-15-35-2)8-9-26(25)30-19-31-28)7-10-27(20)37-23-11-13-33(14-12-23)29(34)21-5-3-4-6-21/h7-10,17-19,21,23H,3-6,11-16H2,1-2H3,(H,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209370
(4-(2-methyl-4-(6-(methylamino)pyrido[3,4-d]pyrimid...)Show SMILES CNc1cc2c(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)ncnc2cn1 Show InChI InChI=1S/C27H30N6O2/c1-17-12-19(33-25-21-13-24(28-5)29-14-22(21)31-16-32-25)8-11-23(17)35-20-9-6-18(7-10-20)26(34)30-15-27(2,3)4/h6-14,16H,15H2,1-5H3,(H,28,29)(H,30,34)(H,31,32,33) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209372
(CHEMBL230891 | N-tert-butyl-3-(4-(6-(3-(2-methoxya...)Show SMILES COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(=O)NC(C)(C)C)c(C)c3)c2c1 Show InChI InChI=1S/C32H33N5O4/c1-21-16-24(12-14-28(21)41-25-10-6-9-23(18-25)31(39)37-32(2,3)4)36-30-26-17-22(11-13-27(26)34-20-35-30)8-7-15-33-29(38)19-40-5/h6,9-14,16-18,20H,15,19H2,1-5H3,(H,33,38)(H,37,39)(H,34,35,36) | PDB
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antibodypedia
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50526388
(CHEMBL4518496)Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C24H23N3O3/c28-22(26-13-15-27(16-14-26)23(29)24(30)11-12-24)19-7-5-18(6-8-19)21-10-9-17-3-1-2-4-20(17)25-21/h1-10,30H,11-16H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an... |
Bioorg Med Chem Lett 29: 1001-1006 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.012
BindingDB Entry DOI: 10.7270/Q2CJ8HXW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50526390
(CHEMBL4462401)Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2scnc2c1 Show InChI InChI=1S/C22H21N3O3S/c26-20(24-9-11-25(12-10-24)21(27)22(28)7-8-22)16-3-1-15(2-4-16)17-5-6-19-18(13-17)23-14-29-19/h1-6,13-14,28H,7-12H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an... |
Bioorg Med Chem Lett 29: 1001-1006 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.012
BindingDB Entry DOI: 10.7270/Q2CJ8HXW |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209359
(CHEMBL231205 | N-(2,6-difluorophenyl)-4-(4-(6-(2-m...)Show SMILES COCCOc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)c2c1 Show InChI InChI=1S/C30H31F2N5O4/c1-19-16-20(35-29-23-17-22(40-15-14-39-2)7-8-26(23)33-18-34-29)6-9-27(19)41-21-10-12-37(13-11-21)30(38)36-28-24(31)4-3-5-25(28)32/h3-9,16-18,21H,10-15H2,1-2H3,(H,36,38)(H,33,34,35) | PDB
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| CHEMBL
PC cid
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PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209371
(CHEMBL228276 | cyclopentyl(4-(2-methyl-4-(6-morpho...)Show SMILES Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1OC1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C29H36N6O3/c1-20-16-22(6-7-26(20)38-23-8-10-35(11-9-23)29(36)21-4-2-3-5-21)33-28-24-17-27(34-12-14-37-15-13-34)30-18-25(24)31-19-32-28/h6-7,16-19,21,23H,2-5,8-15H2,1H3,(H,31,32,33) | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50526382
(CHEMBL4466578)Show SMILES Cn1c(cc2ccccc12)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C1(O)CC1 Show InChI InChI=1S/C24H25N3O3/c1-25-20-5-3-2-4-19(20)16-21(25)17-6-8-18(9-7-17)22(28)26-12-14-27(15-13-26)23(29)24(30)10-11-24/h2-9,16,30H,10-15H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an... |
Bioorg Med Chem Lett 29: 1001-1006 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.012
BindingDB Entry DOI: 10.7270/Q2CJ8HXW |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209360
(CHEMBL230255 | N-(3-methyl-4-(1-methylpiperidin-4-...)Show SMILES Cc1cc(Nc2ncnc3ccc(OCCCN4CCOCC4)cc23)ccc1OC1CCN(CC1)C(=O)CC(C)(C)C Show InChI InChI=1S/C33H45N5O4/c1-24-20-25(6-9-30(24)42-26-10-13-38(14-11-26)31(39)22-33(2,3)4)36-32-28-21-27(7-8-29(28)34-23-35-32)41-17-5-12-37-15-18-40-19-16-37/h6-9,20-21,23,26H,5,10-19,22H2,1-4H3,(H,34,35,36) | PDB
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PC cid
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PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209358
(4-(2-methyl-4-(6-(pyrrolidin-1-yl)pyrido[3,4-d]pyr...)Show SMILES Cc1cc(Nc2ncnc3cnc(cc23)N2CCCC2)ccc1Oc1ccc(cc1)C(=O)NCC(C)(C)C Show InChI InChI=1S/C30H34N6O2/c1-20-15-22(35-28-24-16-27(36-13-5-6-14-36)31-17-25(24)33-19-34-28)9-12-26(20)38-23-10-7-21(8-11-23)29(37)32-18-30(2,3)4/h7-12,15-17,19H,5-6,13-14,18H2,1-4H3,(H,32,37)(H,33,34,35) | PDB
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PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM24845
(5-chloro-4-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5...)Show InChI InChI=1S/C12H11ClN6/c13-7-3-14-11-10(7)12(18-6-17-11)19-2-1-8-9(4-19)16-5-15-8/h3,5-6H,1-2,4H2,(H,15,16)(H,14,17,18) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP... |
Bioorg Med Chem Lett 18: 3359-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209363
(CHEMBL228275 | cyclopentyl(4-(4-(6-(2-methoxyethox...)Show SMILES COCCOc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)C4CCCC4)c(C)c3)c2c1 Show InChI InChI=1S/C29H36N4O4/c1-20-17-22(32-28-25-18-24(36-16-15-35-2)8-9-26(25)30-19-31-28)7-10-27(20)37-23-11-13-33(14-12-23)29(34)21-5-3-4-6-21/h7-10,17-19,21,23H,3-6,11-16H2,1-2H3,(H,30,31,32) | PDB
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209333
(CHEMBL231204 | N-(2,6-difluorophenyl)-4-(4-(6-meth...)Show SMILES COc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)c2c1 Show InChI InChI=1S/C28H27F2N5O3/c1-17-14-18(33-27-21-15-20(37-2)7-8-24(21)31-16-32-27)6-9-25(17)38-19-10-12-35(13-11-19)28(36)34-26-22(29)4-3-5-23(26)30/h3-9,14-16,19H,10-13H2,1-2H3,(H,34,36)(H,31,32,33) | PDB
MMDB
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209346
(4-(4-(6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl...)Show SMILES CN(C)c1cc2c(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)ncnc2cn1 Show InChI InChI=1S/C28H32N6O2/c1-18-13-20(33-26-22-14-25(34(5)6)29-15-23(22)31-17-32-26)9-12-24(18)36-21-10-7-19(8-11-21)27(35)30-16-28(2,3)4/h7-15,17H,16H2,1-6H3,(H,30,35)(H,31,32,33) | PDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50209347
(CHEMBL230574 | N-(3-{4-[4-(1-Cyclobutanecarbonyl-p...)Show SMILES COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)C4CCC4)c(C)c3)c2c1 Show InChI InChI=1S/C31H35N5O4/c1-21-17-24(9-11-28(21)40-25-12-15-36(16-13-25)31(38)23-6-3-7-23)35-30-26-18-22(8-10-27(26)33-20-34-30)5-4-14-32-29(37)19-39-2/h8-11,17-18,20,23,25H,3,6-7,12-16,19H2,1-2H3,(H,32,37)(H,33,34,35) | PDB
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 in NH3T3 cells |
Bioorg Med Chem Lett 17: 3081-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.046
BindingDB Entry DOI: 10.7270/Q2K073ZB |
More data for this
Ligand-Target Pair | |
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