Found 9 hits of Enzyme Inhibition Constant Data 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 |
|---|
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50448451
(CHEMBL3126120)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1cc(C)c(c(C)c1)-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O |r,wU:5.14,(37.04,-56.68,;38.37,-57.46,;38.38,-58.99,;39.71,-56.69,;39.71,-55.15,;41.04,-54.38,;42.38,-55.15,;42.38,-56.69,;43.71,-57.46,;43.7,-59,;45.03,-59.77,;46.37,-59,;46.36,-57.45,;45.03,-56.69,;41.05,-52.84,;39.71,-52.07,;38.38,-52.83,;37.05,-52.06,;37.06,-50.53,;38.38,-49.75,;39.71,-50.52,;41.05,-49.74,;42.39,-50.51,;41.05,-48.2,;35.72,-49.75,;34.18,-49.75,;34.95,-51.08,;35.73,-48.21,;34.39,-47.44,;33.06,-48.21,;34.39,-45.9,;35.73,-45.12,;35.72,-43.59,;37.05,-42.81,;34.39,-42.82,;33.05,-43.59,;31.72,-42.82,;33.05,-45.13,;34.39,-41.29,;33.05,-40.51,;33.06,-38.97,;34.38,-38.2,;35.72,-38.96,;37.2,-38.48,;37.67,-37.02,;36.64,-35.87,;37.12,-34.41,;36.08,-33.27,;36.56,-31.8,;35.53,-30.67,;36,-29.2,;37.51,-28.88,;38.54,-30.02,;40.04,-29.7,;41.06,-30.84,;40.59,-32.31,;39.09,-32.62,;38.06,-31.48,;38.11,-39.74,;37.2,-40.99,;35.72,-40.51,;39.65,-39.74,;40.42,-41.07,;40.42,-38.4,)| Show InChI InChI=1S/C48H48N6O8S2/c1-31-27-34(47(55)51-64(60,61)37-22-23-40(43(29-37)54(58)59)49-35(24-25-52(3)4)30-63-36-15-6-5-7-16-36)28-32(2)45(31)42-20-11-19-41-39(46(48(56)57)50-53(41)42)18-12-26-62-44-21-10-14-33-13-8-9-17-38(33)44/h5-11,13-17,19-23,27-29,35,49H,12,18,24-26,30H2,1-4H3,(H,51,55)(H,56,57)/t35-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay |
J Med Chem 56: 9635-45 (2014)
Article DOI: 10.1021/jm401170c
BindingDB Entry DOI: 10.7270/Q2MS3V86 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50448458
(CHEMBL3126113)Show SMILES OC(=O)c1nn2c(cccc2c1CCCOc1cccc2ccccc12)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C28H22N2O5/c31-27(32)20-15-13-19(14-16-20)23-10-4-11-24-22(26(28(33)34)29-30(23)24)9-5-17-35-25-12-3-7-18-6-1-2-8-21(18)25/h1-4,6-8,10-16H,5,9,17H2,(H,31,32)(H,33,34) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay |
J Med Chem 56: 9635-45 (2014)
Article DOI: 10.1021/jm401170c
BindingDB Entry DOI: 10.7270/Q2MS3V86 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50448452
(CHEMBL3126119)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(c(C)c1)-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O |r| Show InChI InChI=1S/C47H46N6O8S2/c1-31-28-33(46(54)50-63(59,60)36-22-24-40(43(29-36)53(57)58)48-34(25-26-51(2)3)30-62-35-14-5-4-6-15-35)21-23-37(31)41-18-10-19-42-39(45(47(55)56)49-52(41)42)17-11-27-61-44-20-9-13-32-12-7-8-16-38(32)44/h4-10,12-16,18-24,28-29,34,48H,11,17,25-27,30H2,1-3H3,(H,50,54)(H,55,56)/t34-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay |
J Med Chem 56: 9635-45 (2014)
Article DOI: 10.1021/jm401170c
BindingDB Entry DOI: 10.7270/Q2MS3V86 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50448453
(CHEMBL3126118)Show SMILES Cc1cc(ccc1-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r| Show InChI InChI=1S/C50H48F3N5O9S3/c1-33-30-35(19-21-39(33)43-16-8-17-44-41(47(49(60)61)55-58(43)44)15-9-27-67-45-18-7-11-34-10-5-6-14-40(34)45)48(59)56-70(64,65)38-20-22-42(46(31-38)69(62,63)50(51,52)53)54-36(23-24-57-25-28-66-29-26-57)32-68-37-12-3-2-4-13-37/h2-8,10-14,16-22,30-31,36,54H,9,15,23-29,32H2,1H3,(H,56,59)(H,60,61)/t36-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay |
J Med Chem 56: 9635-45 (2014)
Article DOI: 10.1021/jm401170c
BindingDB Entry DOI: 10.7270/Q2MS3V86 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50270877
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay |
J Med Chem 56: 9635-45 (2014)
Article DOI: 10.1021/jm401170c
BindingDB Entry DOI: 10.7270/Q2MS3V86 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50448455
(CHEMBL3126116)Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H30F3N3O6S3/c29-28(30,31)42(36,37)26-19-24(43(38,39)33-27(35)21-7-3-1-4-8-21)11-12-25(26)32-22(13-14-34-15-17-40-18-16-34)20-41-23-9-5-2-6-10-23/h1-12,19,22,32H,13-18,20H2,(H,33,35)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay |
J Med Chem 56: 9635-45 (2014)
Article DOI: 10.1021/jm401170c
BindingDB Entry DOI: 10.7270/Q2MS3V86 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50448454
(CHEMBL3126117)Show SMILES NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r| Show InChI InChI=1S/C21H26F3N3O5S3/c22-21(23,24)34(28,29)20-14-18(35(25,30)31)6-7-19(20)26-16(8-9-27-10-12-32-13-11-27)15-33-17-4-2-1-3-5-17/h1-7,14,16,26H,8-13,15H2,(H2,25,30,31)/t16-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay |
J Med Chem 56: 9635-45 (2014)
Article DOI: 10.1021/jm401170c
BindingDB Entry DOI: 10.7270/Q2MS3V86 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50448456
(CHEMBL3126115)Show SMILES CC(C)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |t:36| Show InChI InChI=1S/C36H42ClF3N4O5S2/c1-24(2)41-32-14-13-30(21-33(32)50(46,47)36(38,39)40)51(48,49)42-34(45)26-7-11-29(12-8-26)44-19-17-43(18-20-44)23-27-22-35(3,4)16-15-31(27)25-5-9-28(37)10-6-25/h5-14,21,24,41H,15-20,22-23H2,1-4H3,(H,42,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay |
J Med Chem 56: 9635-45 (2014)
Article DOI: 10.1021/jm401170c
BindingDB Entry DOI: 10.7270/Q2MS3V86 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50448457
(CHEMBL3126114)Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(O)=O)C1)c1ccc(Cl)cc1 |t:5| Show InChI InChI=1S/C26H31ClN2O2/c1-26(2)12-11-24(19-3-7-22(27)8-4-19)21(17-26)18-28-13-15-29(16-14-28)23-9-5-20(6-10-23)25(30)31/h3-10H,11-18H2,1-2H3,(H,30,31) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay |
J Med Chem 56: 9635-45 (2014)
Article DOI: 10.1021/jm401170c
BindingDB Entry DOI: 10.7270/Q2MS3V86 |
More data for this
Ligand-Target Pair | |
Search and Browse
