Found 36 hits with Last Name = 'golub' and Initial = 'tr' 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 |
|---|
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600790
(US11633415, Compound 2-ethylbutyl-2-cyano-2-(3-(4-...) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50013867
(CHEMBL3265299)Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O Show InChI InChI=1S/C24H19NO6S2/c26-23(27)15-32-22-14-21(19-8-4-5-9-20(19)24(22)28)25-33(29,30)18-12-10-17(11-13-18)31-16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of MCL1 (unknown origin) |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600791
(US11633415, Compound 2,2-dimethyl-propyl-2-cyano-2...)Show SMILES CC(C)(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCNCC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600794
(US11633415, Compound 3-fluorobenzyl-2-cyano-2-(3-(...)Show SMILES Fc1cccc(COC(=O)C(C#N)c2nc3ccccc3nc2N2CCNCC2)c1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 268 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203 | US11633415, Compound 5-iodotubercidi...)Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| | n/a | n/a | 287 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM476219
(US10865384, Compound D4476 | US11633415, Compound ...)Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C23H18N4O3/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12H2,(H2,24,28)(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| | n/a | n/a | 321 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600785
(US11633415, Compound 2-ethylbutyl-2-cyano-2-(3-(4-...)Show SMILES CCC(CC)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(C)CC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 399 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600792
(US11633415, Compound 2,2-dimethyl-propyl-2-cyano-2...)Show SMILES CN1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OCC(C)(C)C | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 715 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM50399656
(CHEMBL2069623 | US11633415, Compound PF4800567)Show InChI InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 857 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600795
(US11633415, Compound 4-fluorobenzyl-2-cyano-2-(3-(...)Show SMILES Fc1ccc(COC(=O)C(C#N)c2nc3ccccc3nc2N2CCNCC2)cc1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600789
(US11633415, Compound 2-ethylbutyl-2-cyano-2-(3-(4-...)Show SMILES CCC(CC)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(CN)CC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600793
(US11633415, Compound 2-fluorobenzyl-2-cyano-2-l(3-...)Show SMILES Fc1ccccc1COC(=O)C(C#N)c1nc2ccccc2nc1N1CCNCC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600786
(US11633415, Compound benzyl-2-(3-(4-aminopiperidin...)Show SMILES NC1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OCc1ccccc1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600781
(US11633415, Compound 2)Show SMILES CN1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OCc1ccccc1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600797
(US11633415, Compound 4-fluorobenzyl-2-cyano-2-(3-(...)Show SMILES CN1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OCc1ccc(F)cc1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600783
(US11633415, Compound 4)Show SMILES CN1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OC1CCCCC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600788
(US11633415, Compound 2-ethylbutyl-2-cyano-2-(3-(4-...)Show SMILES CCC(CC)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(N)CC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041687
(CHEMBL3358899)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)c3cccc(F)c3)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C30H30F4N4O7S/c1-17-15-38(18(2)28(40)41)27(39)23-8-5-9-24(36-46(43,44)22-7-4-6-20(31)14-22)26(23)45-25(17)16-37(3)29(42)35-21-12-10-19(11-13-21)30(32,33)34/h4-14,17-18,25,36H,15-16H2,1-3H3,(H,35,42)(H,40,41)/t17-,18+,25-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600796
(US11633415, Compound 3-aminobenzyl-2-cyano-2-(3-(4...)Show SMILES Nc1cccc(COC(=O)C(C#N)c2nc3ccccc3nc2N2CCNCC2)c1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600787
(US11633415, Compound benzyl-2-cyano-2-(3-(4-(methy...)Show SMILES CNC1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OCc1ccccc1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041679
(CHEMBL3358892)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C30H30F4N4O7S/c1-17-15-38(18(2)28(40)41)27(39)23-5-4-6-24(36-46(43,44)22-13-9-20(31)10-14-22)26(23)45-25(17)16-37(3)29(42)35-21-11-7-19(8-12-21)30(32,33)34/h4-14,17-18,25,36H,15-16H2,1-3H3,(H,35,42)(H,40,41)/t17-,18+,25-/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 | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600782
(US11633415, Compound 3)Show SMILES CCC(CC)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(CC)CC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041674
(CHEMBL3358901)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C30H31F3N4O7S/c1-18-16-37(19(2)28(39)40)27(38)23-10-7-11-24(35-45(42,43)22-8-5-4-6-9-22)26(23)44-25(18)17-36(3)29(41)34-21-14-12-20(13-15-21)30(31,32)33/h4-15,18-19,25,35H,16-17H2,1-3H3,(H,34,41)(H,39,40)/t18-,19+,25-/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 | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600780
(US11633415, Compound 1)Show SMILES CCN1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OC1CCCCC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041690
(CHEMBL3358900)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)c3ccccc3F)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C30H30F4N4O7S/c1-17-15-38(18(2)28(40)41)27(39)21-7-6-9-23(36-46(43,44)25-10-5-4-8-22(25)31)26(21)45-24(17)16-37(3)29(42)35-20-13-11-19(12-14-20)30(32,33)34/h4-14,17-18,24,36H,15-16H2,1-3H3,(H,35,42)(H,40,41)/t17-,18+,24-/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 | 2.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041686
(CHEMBL3358898)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc3ccccc3c2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C33H33FN4O7S/c1-20-18-38(21(2)32(40)41)31(39)27-9-6-10-28(36-46(43,44)26-15-12-24(34)13-16-26)30(27)45-29(20)19-37(3)33(42)35-25-14-11-22-7-4-5-8-23(22)17-25/h4-17,20-21,29,36H,18-19H2,1-3H3,(H,35,42)(H,40,41)/t20-,21+,29-/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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041680
(CHEMBL3358893)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cccc(c2)C(F)(F)F)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C30H30F4N4O7S/c1-17-15-38(18(2)28(40)41)27(39)23-8-5-9-24(36-46(43,44)22-12-10-20(31)11-13-22)26(23)45-25(17)16-37(3)29(42)35-21-7-4-6-19(14-21)30(32,33)34/h4-14,17-18,25,36H,15-16H2,1-3H3,(H,35,42)(H,40,41)/t17-,18+,25-/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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041685
(CHEMBL3358897)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C33H33FN4O7S/c1-20-18-38(21(2)32(40)41)31(39)26-11-7-13-28(36-46(43,44)24-16-14-23(34)15-17-24)30(26)45-29(20)19-37(3)33(42)35-27-12-6-9-22-8-4-5-10-25(22)27/h4-17,20-21,29,36H,18-19H2,1-3H3,(H,35,42)(H,40,41)/t20-,21+,29-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041682
(CHEMBL3358895)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C29H31FN4O7S/c1-18-16-34(19(2)28(36)37)27(35)23-10-7-11-24(32-42(39,40)22-14-12-20(30)13-15-22)26(23)41-25(18)17-33(3)29(38)31-21-8-5-4-6-9-21/h4-15,18-19,25,32H,16-17H2,1-3H3,(H,31,38)(H,36,37)/t18-,19+,25-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041684
(CHEMBL3358896)Show SMILES COc1ccc(NC(=O)N(C)C[C@H]2Oc3c(NS(=O)(=O)c4ccc(F)cc4)cccc3C(=O)N(C[C@H]2C)[C@@H](C)C(O)=O)cc1 |r| Show InChI InChI=1S/C30H33FN4O8S/c1-18-16-35(19(2)29(37)38)28(36)24-6-5-7-25(33-44(40,41)23-14-8-20(31)9-15-23)27(24)43-26(18)17-34(3)30(39)32-21-10-12-22(42-4)13-11-21/h5-15,18-19,26,33H,16-17H2,1-4H3,(H,32,39)(H,37,38)/t18-,19+,26-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041681
(CHEMBL3358894)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2C(F)(F)F)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C30H30F4N4O7S/c1-17-15-38(18(2)28(40)41)27(39)21-7-6-10-24(36-46(43,44)20-13-11-19(31)12-14-20)26(21)45-25(17)16-37(3)29(42)35-23-9-5-4-8-22(23)30(32,33)34/h4-14,17-18,25,36H,15-16H2,1-3H3,(H,35,42)(H,40,41)/t17-,18+,25-/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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041678
(CHEMBL3358903)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)CCc3ccccc3)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C32H35F3N4O7S/c1-20-18-39(21(2)30(41)42)29(40)25-10-7-11-26(37-47(44,45)17-16-22-8-5-4-6-9-22)28(25)46-27(20)19-38(3)31(43)36-24-14-12-23(13-15-24)32(33,34)35/h4-15,20-21,27,37H,16-19H2,1-3H3,(H,36,43)(H,41,42)/t20-,21+,27-/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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041675
(CHEMBL3358902)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)Cc3ccccc3)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C31H33F3N4O7S/c1-19-16-38(20(2)29(40)41)28(39)24-10-7-11-25(36-46(43,44)18-21-8-5-4-6-9-21)27(24)45-26(19)17-37(3)30(42)35-23-14-12-22(13-15-23)31(32,33)34/h4-15,19-20,26,36H,16-18H2,1-3H3,(H,35,42)(H,40,41)/t19-,20+,26-/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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM600784
(US11633415, Compound 5) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3HW2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041679
(CHEMBL3358892)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C30H30F4N4O7S/c1-17-15-38(18(2)28(40)41)27(39)23-5-4-6-24(36-46(43,44)22-13-9-20(31)10-14-22)26(23)45-25(17)16-37(3)29(42)35-21-11-7-19(8-12-21)30(32,33)34/h4-14,17-18,25,36H,15-16H2,1-3H3,(H,35,42)(H,40,41)/t17-,18+,25-/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 | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) by 19F NMR spectroscopy |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50041679
(CHEMBL3358892)Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C30H30F4N4O7S/c1-17-15-38(18(2)28(40)41)27(39)23-5-4-6-24(36-46(43,44)22-13-9-20(31)10-14-22)26(23)45-25(17)16-37(3)29(42)35-21-11-7-19(8-12-21)30(32,33)34/h4-14,17-18,25,36H,15-16H2,1-3H3,(H,35,42)(H,40,41)/t17-,18+,25-/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 | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCL1 (173 to 329 aa) by isothermal titration calorimetry |
ACS Med Chem Lett 5: 1308-12 (2014)
Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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