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Compile Data Set for Download or QSAR

Found 1755 hits of affinity data for UniProtKB/TrEMBL: G2HFR3    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL410802
PNG
(QEDIIRNIARHLAQVGDSMDR)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid

Similars

AffyNet 
Article
PubMed
12.0n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl1 by FP assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2180320
PNG
Show SMILES CC(C)c1ccc(Sc2ccc3C(=O)c4cc(O)c(O)cc4C(=O)c3c2)cc1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
13.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL226578
PNG
(1,4-bis(5,6,7-trihydroxy-8-isobutyl-2-methyl-4-oxo...)
Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccc(cc1)-c1c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c1=O)c2=O
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Patents


Similars

AffyNet 
Article
PubMed
18.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL226578
PNG
(1,4-bis(5,6,7-trihydroxy-8-isobutyl-2-methyl-4-oxo...)
Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccc(cc1)-c1c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c1=O)c2=O
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Patents


Similars

AffyNet 
Article
PubMed
18.0n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-Bim peptide from human Mcl1 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1824190
PNG
Show SMILES CCC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
24.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL258819
PNG
Show SMILES Oc1c(O)c(cc(C(=O)c2ccc(Oc3ccccc3)cc2)c1O)C(=O)c1nc2ccccc2s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0
AffyNet 
Article
PubMed
37.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL258819
PNG
Show SMILES Oc1c(O)c(cc(C(=O)c2ccc(Oc3ccccc3)cc2)c1O)C(=O)c1nc2ccccc2s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0
AffyNet 
Article
PubMed
37.0n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Mcl-1 protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2180318
PNG
Show SMILES Cc1ccc(Sc2ccc3C(=O)c4cc(O)c(O)cc4C(=O)c3c2)cc1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
38.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672081
PNG
(3-(4-bromophenylthio)-8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES Brc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
49.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2180319
PNG
Show SMILES Oc1cc2C(=O)c3ccc(Sc4ccccc4)cc3C(=O)c2cc1O
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
53.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314209
PNG
Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
ZINC 0

Similars

AffyNet 
PDB
Article
PubMed
55.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2180317
PNG
Show SMILES Oc1cc2C(=O)c3ccc(Sc4ccc(Br)cc4)cc3C(=O)c2cc1O
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
56.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL595134
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0
AffyNet 
Article
PubMed
58.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL595134
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0
AffyNet 
Article
PubMed
58.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL595134
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0
AffyNet 
Article
PubMed
58.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL595134
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0
AffyNet 
Article
PubMed
62.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314502
PNG
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2CCCCc12
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
66.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314210
PNG
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
75.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672078
PNG
(3-(4-isopropylthiophenol)-8-oxo-8H-acenaphtho[1,2-...)
Show SMILES CC(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
82.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672079
PNG
(3-(4-N,N-dimethylaminophenylthio)-8-oxo-8H-acenaph...)
Show SMILES CN(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
91.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672071
PNG
(Isopropyl-3-(4-isopropylphenoxy)-8-oxo-8H-acenapht...)
Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
99.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672071
PNG
(Isopropyl-3-(4-isopropylphenoxy)-8-oxo-8H-acenapht...)
Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
99.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2180321
PNG
Show SMILES Oc1cc2C(=O)c3ccc(Br)cc3C(=O)c2cc1O
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0
AffyNet 
Article
PubMed
107.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314177
PNG
Show SMILES OC(=O)c1sc2cc(Cl)ccc2c1CCCOc1cccc2ccccc12
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
120.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672070
PNG
(3-(4-methoxyphenoxy)-8-oxo-8H-acenaphtho[1,2-b]pyr...)
Show SMILES COc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
122.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672072
PNG
(N,N-dimethylamino-3-(4-N,N-dimethylaminophenoxy)-8...)
Show SMILES CN(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
122.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Mcl-1


(Homo sapiens (human))
CHEMBL2436891
PNG
Show SMILES Cc1ccc(O)c(Cn2c(nc3c(O)c(O)c(O)cc3c2=O)-c2ccccc2)c1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
123.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314171
PNG
Show SMILES Cc1cc(OCCCc2c(C(O)=O)n(C)c3cc(Cl)ccc23)cc(C)c1Cl
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
140.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1824188
PNG
Show SMILES COc1ccccc1Oc1ccc2c3c(C#N)c(=O)nc3c3cccc1c23
PDB
MMDB

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149.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL259034
PNG
Show SMILES Oc1c(O)c(cc(C(=O)c2cccc3ccccc23)c1O)C(=O)c1ccc(Oc2ccccc2)cc1
PDB
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150.0n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Mcl-1 protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL376055
PNG
(2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...)
Show SMILES CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O
PDB
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150.0n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid BH3 peptide from human Mcl1 by FP-based binding assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672077
PNG
(3-(4-methoxyphenylthio)-8-oxo-8H-acenaphtho[1,2-b]...)
Show SMILES COc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
PDB
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151.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314206
PNG
Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(O)=O)cc(C)c1Cl
PDB
MMDB

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160.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1269107
PNG
(5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...)
Show SMILES CC1=C(C(=O)c2cc(O)c(O)c(Cc3ccccc3)c2C1=O)C1=C(C)C(=O)c2c(Cc3ccccc3)c(O)c(O)cc2C1=O
PDB
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160.0n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672068
PNG
(3-(p-tolyloxy)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9...)
Show SMILES Cc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
PDB
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174.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
Gossypol
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
PDB
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180.0n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl1 by FP assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314503
PNG
Show SMILES Cc1cc(OCCCc2c(C(O)=O)n(C)c3ccccc23)cc(C)c1Cl
PDB
MMDB

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180.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
Gossypol
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
PDB
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180.0n/an/an/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to MCL1


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314208
PNG
Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(O)=O)ccc1Cl
PDB
MMDB

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190.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
Gossypol
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
PDB
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190.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mcl-1


(Homo sapiens (human))
Gossypol
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
PDB
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190.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1269012
PNG
(N5,N5'-Bis(4-ethylphenethyl)-6,6',7,7'-tetrahydrox...)
Show SMILES CCc1ccc(CCNC(=O)c2c(O)c(O)cc3C(=O)C(=C(C)C(=O)c23)C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NCCc3ccc(CC)cc3)C2=O)cc1
PDB
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210.0n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1824187
PNG
Show SMILES Cc1ccccc1Oc1ccc2c3c(C#N)c(=O)nc3c3cccc1c23
PDB
MMDB

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213.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1269072
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-bis(2-ph...)
Show SMILES CC1=C(C(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2C1=O)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(=O)Cc2ccccc2)C1=O
PDB
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230.0n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314176
PNG
Show SMILES Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl
PDB
MMDB

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250.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672070
PNG
(3-(4-methoxyphenoxy)-8-oxo-8H-acenaphtho[1,2-b]pyr...)
Show SMILES COc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
PDB
MMDB

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258.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314504
PNG
Show SMILES Cn1c(C(O)=O)c(CCCOc2cccc3ccccc23)c2ccccc12
PDB
MMDB

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260.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL217354
PNG
((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...)
Show SMILES CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O
PDB
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260.0n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl1 by FP assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1269110
PNG
(5,5'-Bis(4-chlorobenzyl)-6,6',7,7''-tetrahydroxy-3...)
Show SMILES CC1=C(C(=O)c2cc(O)c(O)c(Cc3ccc(Cl)cc3)c2C1=O)C1=C(C)C(=O)c2c(Cc3ccc(Cl)cc3)c(O)c(O)cc2C1=O
PDB
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270.0n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL192032
PNG
Show SMILES Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
PDB
MMDB

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270.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
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