Found 42 hits with Last Name = 'biersack' and Initial = 'b' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Transcriptional activator Myb
(Homo sapiens) | BDBM50595895
(CHEMBL321336)Show SMILES NC1=C(C#N)C(c2cccc(c2)[N+]([O-])=O)c2ccc3ccccc3c2O1 |c:1| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595896
(CHEMBL228363)Show SMILES COc1cc(cc(OC)c1OC)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:16| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595908
(CHEMBL5188413)Show SMILES COc1cc(cc(OC)c1OCC#C)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:18| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595903
(CHEMBL5184353)Show SMILES CCOc1c(OC)cc(cc1OC)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:17| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595907
(CHEMBL5198083)Show SMILES COc1cc(cc(OC)c1OCC=C)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:18| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595901
(CHEMBL4442805)Show SMILES NC1=C(C#N)C(c2ccc(Cl)c(F)c2)c2ccc3ccccc3c2O1 |c:1| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595904
(CHEMBL5176963)Show SMILES CCCOc1c(OC)cc(cc1OC)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:18| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595906
(CHEMBL5176572)Show SMILES CCCCOc1c(OC)cc(cc1OC)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:19| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595919
(CHEMBL5198730)Show SMILES CCOc1c(Br)cc(cc1OC)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:16| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595911
(CHEMBL591374 | SJ000038007)Show SMILES COc1ccc(cc1OC)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:14| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595918
(CHEMBL5192004)Show SMILES CCOc1c(I)cc(cc1OC)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:16| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595905
(CHEMBL5203253)Show SMILES COc1cc(cc(OC)c1OC(C)C)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:18| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595912
(CHEMBL5192001)Show SMILES NC1=C(C#N)C(c2cc(F)c(F)c(F)c2)c2ccc3ccccc3c2O1 |c:1| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595913
(CHEMBL5173047)Show SMILES COc1ccc(cc1[N+]([O-])=O)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:15| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595898
(CHEMBL4436683)Show SMILES NC1=C(C#N)C(c2cccc(c2)S(F)(F)(F)(F)F)c2ccc3ccccc3c2O1 |c:1| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595917
(CHEMBL5194887)Show SMILES COc1cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)c(Br)c(OC)c1OC |t:8| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595902
(CHEMBL4441682)Show SMILES CSc1ccc(cc1)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:12| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595914
(CHEMBL5187002)Show SMILES CSc1ccc(cc1F)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:13| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595900
(CHEMBL4567907)Show SMILES NC1=C(C#N)C(c2ccc(cc2)C#N)c2ccc3ccccc3c2O1 |c:1| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595916
(CHEMBL5188662)Show SMILES COc1ccc(cc1C)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:13| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595920
(CHEMBL5179347)Show SMILES CCCCCOc1c(OC)cc(cc1OC)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:20| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595915
(CHEMBL5203497)Show SMILES COc1ccc(cc1Br)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:13| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595910
(CHEMBL4513667)Show SMILES Cc1ccc(cc1)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:11| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM32628
(FTC | Fumitremorgin C)Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O |wU:8.9,1.0,wD:22.25,(21.14,-14.06,;22.39,-14.97,;22.72,-13.41,;24.31,-13.24,;24.96,-14.7,;23.78,-15.77,;23.76,-17.37,;25.09,-18.16,;22.36,-18.15,;23.69,-18.93,;22.36,-19.69,;21.03,-20.46,;19.7,-19.69,;18.56,-20.72,;19.18,-22.12,;18.51,-23.56,;19.44,-24.86,;18.81,-26.27,;19.7,-27.52,;21.02,-24.7,;21.66,-23.24,;20.71,-21.96,;19.7,-18.15,;18.36,-17.38,;17.03,-18.15,;15.7,-17.38,;17.03,-19.69,;21.03,-17.38,;21,-15.78,;19.66,-15.02,)| Show InChI InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/Topo cells assessed as mitoxantrone accumulation preincubated for 10 mins followed by mitoxantrone addition measured... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595897
(CHEMBL4585739)Show SMILES COc1cc(ccc1OCc1ccccc1)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:21| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50195543
(CHEMBL2236206)Show InChI InChI=1S/C22H20O4/c1-24-20-12-15(13-21(25-2)22(20)26-3)8-11-19(23)18-10-9-16-6-4-5-7-17(16)14-18/h4-14H,1-3H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/Topo cells assessed as mitoxantrone accumulation preincubated for 10 mins followed by mitoxantrone addition measured... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595899
(CHEMBL4536562)Show SMILES NC1=C(C#N)C(c2ccc(cc2)S(F)(F)(F)(F)F)c2ccc3ccccc3c2O1 |c:1| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Transcriptional activator Myb
(Homo sapiens) | BDBM50595909
(CHEMBL1276569)Show SMILES COc1ccc(cc1)C1C(C#N)=C(N)Oc2c1ccc1ccccc21 |t:12| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00403
BindingDB Entry DOI: 10.7270/Q28G8QQ2 |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50195540
(CHEMBL3898212)Show InChI InChI=1S/C21H17BrO3/c1-24-20-12-14(11-18(22)21(20)25-2)7-10-19(23)17-9-8-15-5-3-4-6-16(15)13-17/h3-13H,1-2H3/b10-7+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/Topo cells assessed as mitoxantrone accumulation preincubated for 10 mins followed by mitoxantrone addition measured... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50195542
(CHEMBL3895919)Show SMILES COc1cc(cc(I)c1OC)C1CC(=NN1C(C)=O)c1ccc2ccccc2c1 |c:14| Show InChI InChI=1S/C23H21IN2O3/c1-14(27)26-21(18-11-19(24)23(29-3)22(12-18)28-2)13-20(25-26)17-9-8-15-6-4-5-7-16(15)10-17/h4-12,21H,13H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/Topo cells assessed as mitoxantrone accumulation preincubated for 10 mins followed by mitoxantrone addition measured... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50195541
(CHEMBL3984719)Show SMILES COc1cc(cc(Cl)c1OC)C1CC(=NN1C(C)=O)c1ccc2ccccc2c1 |c:14| Show InChI InChI=1S/C23H21ClN2O3/c1-14(27)26-21(18-11-19(24)23(29-3)22(12-18)28-2)13-20(25-26)17-9-8-15-6-4-5-7-16(15)10-17/h4-12,21H,13H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/Topo cells assessed as mitoxantrone accumulation preincubated for 10 mins followed by mitoxantrone addition measured... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50195539
(CHEMBL3926291)Show InChI InChI=1S/C21H17IO3/c1-24-20-12-14(11-18(22)21(20)25-2)7-10-19(23)17-9-8-15-5-3-4-6-16(15)13-17/h3-13H,1-2H3/b10-7+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/Topo cells assessed as mitoxantrone accumulation preincubated for 10 mins followed by mitoxantrone addition measured... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50195544
(CHEMBL3891465)Show InChI InChI=1S/C21H17ClO3/c1-24-20-12-14(11-18(22)21(20)25-2)7-10-19(23)17-9-8-15-5-3-4-6-16(15)13-17/h3-13H,1-2H3/b10-7+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/Topo cells assessed as mitoxantrone accumulation preincubated for 10 mins followed by mitoxantrone addition measured... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50195545
(CHEMBL3923932)Show SMILES COc1cc(cc(Br)c1OC)C1CC(=NN1C(C)=O)c1ccc2ccccc2c1 |c:14| Show InChI InChI=1S/C23H21BrN2O3/c1-14(27)26-21(18-11-19(24)23(29-3)22(12-18)28-2)13-20(25-26)17-9-8-15-6-4-5-7-16(15)10-17/h4-12,21H,13H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/Topo cells assessed as mitoxantrone accumulation preincubated for 10 mins followed by mitoxantrone addition measured... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50195541
(CHEMBL3984719)Show SMILES COc1cc(cc(Cl)c1OC)C1CC(=NN1C(C)=O)c1ccc2ccccc2c1 |c:14| Show InChI InChI=1S/C23H21ClN2O3/c1-14(27)26-21(18-11-19(24)23(29-3)22(12-18)28-2)13-20(25-26)17-9-8-15-6-4-5-7-16(15)10-17/h4-12,21H,13H2,1-3H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of P-gp in human KB-V1/Vbl cells assessed as calcein-AM accumulation preincubated for 15 mins followed by calcein-AM addition measured aft... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50195545
(CHEMBL3923932)Show SMILES COc1cc(cc(Br)c1OC)C1CC(=NN1C(C)=O)c1ccc2ccccc2c1 |c:14| Show InChI InChI=1S/C23H21BrN2O3/c1-14(27)26-21(18-11-19(24)23(29-3)22(12-18)28-2)13-20(25-26)17-9-8-15-6-4-5-7-16(15)10-17/h4-12,21H,13H2,1-3H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of P-gp in human KB-V1/Vbl cells assessed as calcein-AM accumulation preincubated for 15 mins followed by calcein-AM addition measured aft... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50195543
(CHEMBL2236206)Show InChI InChI=1S/C22H20O4/c1-24-20-12-15(13-21(25-2)22(20)26-3)8-11-19(23)18-10-9-16-6-4-5-7-17(16)14-18/h4-14H,1-3H3/b11-8+ | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of P-gp in human KB-V1/Vbl cells assessed as calcein-AM accumulation preincubated for 15 mins followed by calcein-AM addition measured aft... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50195542
(CHEMBL3895919)Show SMILES COc1cc(cc(I)c1OC)C1CC(=NN1C(C)=O)c1ccc2ccccc2c1 |c:14| Show InChI InChI=1S/C23H21IN2O3/c1-14(27)26-21(18-11-19(24)23(29-3)22(12-18)28-2)13-20(25-26)17-9-8-15-6-4-5-7-16(15)10-17/h4-12,21H,13H2,1-3H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of P-gp in human KB-V1/Vbl cells assessed as calcein-AM accumulation preincubated for 15 mins followed by calcein-AM addition measured aft... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of P-gp in human KB-V1/Vbl cells assessed as calcein-AM accumulation preincubated for 15 mins followed by calcein-AM addition measured aft... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50195544
(CHEMBL3891465)Show InChI InChI=1S/C21H17ClO3/c1-24-20-12-14(11-18(22)21(20)25-2)7-10-19(23)17-9-8-15-5-3-4-6-16(15)13-17/h3-13H,1-2H3/b10-7+ | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of P-gp in human KB-V1/Vbl cells assessed as calcein-AM accumulation preincubated for 15 mins followed by calcein-AM addition measured aft... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50195540
(CHEMBL3898212)Show InChI InChI=1S/C21H17BrO3/c1-24-20-12-14(11-18(22)21(20)25-2)7-10-19(23)17-9-8-15-5-3-4-6-16(15)13-17/h3-13H,1-2H3/b10-7+ | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of P-gp in human KB-V1/Vbl cells assessed as calcein-AM accumulation preincubated for 15 mins followed by calcein-AM addition measured aft... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50195539
(CHEMBL3926291)Show InChI InChI=1S/C21H17IO3/c1-24-20-12-14(11-18(22)21(20)25-2)7-10-19(23)17-9-8-15-5-3-4-6-16(15)13-17/h3-13H,1-2H3/b10-7+ | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of P-gp in human KB-V1/Vbl cells assessed as calcein-AM accumulation preincubated for 15 mins followed by calcein-AM addition measured aft... |
Bioorg Med Chem Lett 26: 5168-5171 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.076
BindingDB Entry DOI: 10.7270/Q21V5GXB |
More data for this
Ligand-Target Pair | |
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