Found 99 hits Enz. Inhib. hit(s) with all data for entry = 50001705 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 |
|---|
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50314864
(CHEMBL4172927)Show SMILES [H][C@]12C[C@H](CCOC(=O)c3ccc(Oc4ccc(NC(=O)COc5ccc(C)cc5)cc4)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:37,t:55| Show InChI InChI=1S/C45H42ClNO9/c1-28-3-13-37(14-4-28)55-27-41(48)47-36-11-17-39(18-12-36)56-38-15-9-33(10-16-38)43(51)54-22-20-30-19-21-45(44(52)53)34(25-30)23-29(2)24-35(45)26-40(46)31-5-7-32(8-6-31)42(49)50/h3-19,21,24,26,30,34-35H,20,22-23,25,27H2,1-2H3,(H,47,48)(H,49,50)(H,52,53)/b40-26-/t30-,34-,35-,45-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314865
(CHEMBL4172616)Show SMILES [H][C@]12C[C@H](CCOC(=O)c3ccc(Oc4cccnc4)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:24,t:42| Show InChI InChI=1S/C35H32ClNO7/c1-22-17-27-19-23(13-16-43-33(40)26-8-10-29(11-9-26)44-30-3-2-15-37-21-30)12-14-35(27,34(41)42)28(18-22)20-31(36)24-4-6-25(7-5-24)32(38)39/h2-12,14-15,18,20-21,23,27-28H,13,16-17,19H2,1H3,(H,38,39)(H,41,42)/b31-20-/t23-,27-,28-,35-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50314865
(CHEMBL4172616)Show SMILES [H][C@]12C[C@H](CCOC(=O)c3ccc(Oc4cccnc4)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:24,t:42| Show InChI InChI=1S/C35H32ClNO7/c1-22-17-27-19-23(13-16-43-33(40)26-8-10-29(11-9-26)44-30-3-2-15-37-21-30)12-14-35(27,34(41)42)28(18-22)20-31(36)24-4-6-25(7-5-24)32(38)39/h2-12,14-15,18,20-21,23,27-28H,13,16-17,19H2,1H3,(H,38,39)(H,41,42)/b31-20-/t23-,27-,28-,35-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-AhxBak-OH binding to human 45-84/C37 Bcl-xL after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314860
(CHEMBL4161200)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3cccc(Br)c3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29BrClNO6/c1-18-13-22-15-19(10-12-39-29(38)33-25-4-2-3-24(31)17-25)9-11-30(22,28(36)37)23(14-18)16-26(32)20-5-7-21(8-6-20)27(34)35/h2-9,11,14,16-17,19,22-23H,10,12-13,15H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-16-/t19-,22-,23-,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50314860
(CHEMBL4161200)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3cccc(Br)c3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29BrClNO6/c1-18-13-22-15-19(10-12-39-29(38)33-25-4-2-3-24(31)17-25)9-11-30(22,28(36)37)23(14-18)16-26(32)20-5-7-21(8-6-20)27(34)35/h2-9,11,14,16-17,19,22-23H,10,12-13,15H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-16-/t19-,22-,23-,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50314863
(CHEMBL4162253)Show SMILES [H][C@]12C[C@H](CCOC(=O)c3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:17,t:35| Show InChI InChI=1S/C30H28Cl2O6/c1-18-14-23-16-19(11-13-38-28(35)22-6-8-25(31)9-7-22)10-12-30(23,29(36)37)24(15-18)17-26(32)20-2-4-21(5-3-20)27(33)34/h2-10,12,15,17,19,23-24H,11,13-14,16H2,1H3,(H,33,34)(H,36,37)/b26-17-/t19-,23-,24-,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314864
(CHEMBL4172927)Show SMILES [H][C@]12C[C@H](CCOC(=O)c3ccc(Oc4ccc(NC(=O)COc5ccc(C)cc5)cc4)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:37,t:55| Show InChI InChI=1S/C45H42ClNO9/c1-28-3-13-37(14-4-28)55-27-41(48)47-36-11-17-39(18-12-36)56-38-15-9-33(10-16-38)43(51)54-22-20-30-19-21-45(44(52)53)34(25-30)23-29(2)24-35(45)26-40(46)31-5-7-32(8-6-31)42(49)50/h3-19,21,24,26,30,34-35H,20,22-23,25,27H2,1-2H3,(H,47,48)(H,49,50)(H,52,53)/b40-26-/t30-,34-,35-,45-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314859
(CHEMBL4169123)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3ccc(Br)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29BrClNO6/c1-18-14-22-16-19(11-13-39-29(38)33-25-8-6-24(31)7-9-25)10-12-30(22,28(36)37)23(15-18)17-26(32)20-2-4-21(5-3-20)27(34)35/h2-10,12,15,17,19,22-23H,11,13-14,16H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-17-/t19-,22-,23-,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314863
(CHEMBL4162253)Show SMILES [H][C@]12C[C@H](CCOC(=O)c3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:17,t:35| Show InChI InChI=1S/C30H28Cl2O6/c1-18-14-23-16-19(11-13-38-28(35)22-6-8-25(31)9-7-22)10-12-30(23,29(36)37)24(15-18)17-26(32)20-2-4-21(5-3-20)27(33)34/h2-10,12,15,17,19,23-24H,11,13-14,16H2,1H3,(H,33,34)(H,36,37)/b26-17-/t19-,23-,24-,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50314863
(CHEMBL4162253)Show SMILES [H][C@]12C[C@H](CCOC(=O)c3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:17,t:35| Show InChI InChI=1S/C30H28Cl2O6/c1-18-14-23-16-19(11-13-38-28(35)22-6-8-25(31)9-7-22)10-12-30(23,29(36)37)24(15-18)17-26(32)20-2-4-21(5-3-20)27(33)34/h2-10,12,15,17,19,23-24H,11,13-14,16H2,1H3,(H,33,34)(H,36,37)/b26-17-/t19-,23-,24-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-AhxBak-OH binding to human 45-84/C37 Bcl-xL after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50315690
(CHEMBL4177447)Show SMILES [H][C@]12C[C@H](CCn3cc(nn3)-c3ccccc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:19,t:37| Show InChI InChI=1S/C31H30ClN3O4/c1-20-15-25-17-21(12-14-35-19-28(33-34-35)23-5-3-2-4-6-23)11-13-31(25,30(38)39)26(16-20)18-27(32)22-7-9-24(10-8-22)29(36)37/h2-11,13,16,18-19,21,25-26H,12,14-15,17H2,1H3,(H,36,37)(H,38,39)/b27-18-/t21-,25-,26-,31-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonism of carbachol action on nAChR of isolated frog rectus abdominus. |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50314873
(CHEMBL4174087)Show SMILES [H][C@]12C[C@H](CC(=O)NCc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(=O)OC |r,c:17,t:35| Show InChI InChI=1S/C31H31Cl2NO5/c1-19-13-24-15-21(16-28(35)34-18-20-3-9-26(32)10-4-20)11-12-31(24,30(38)39-2)25(14-19)17-27(33)22-5-7-23(8-6-22)29(36)37/h3-12,14,17,21,24-25H,13,15-16,18H2,1-2H3,(H,34,35)(H,36,37)/b27-17-/t21-,24+,25+,31+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonist activity against Nicotinic acetylcholine receptor (nAChR) of isolated Frog rectus Abdominis Muscle |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50314874
(CHEMBL4176611)Show SMILES [H][C@]12C[C@H](CC(=O)Nc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(=O)OC |r,c:16,t:34| Show InChI InChI=1S/C30H29Cl2NO5/c1-18-13-22-15-19(16-27(34)33-25-9-7-24(31)8-10-25)11-12-30(22,29(37)38-2)23(14-18)17-26(32)20-3-5-21(6-4-20)28(35)36/h3-12,14,17,19,22-23H,13,15-16H2,1-2H3,(H,33,34)(H,35,36)/b26-17-/t19-,22+,23+,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314870
(CHEMBL4160019)Show SMILES [H][C@]12C[C@H](CC(=O)NCc3cccnc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OC)C=C(C)C2)C(=O)OC |r,c:16,t:35| Show InChI InChI=1S/C31H33ClN2O5/c1-20-13-25-15-21(16-28(35)34-19-22-5-4-12-33-18-22)10-11-31(25,30(37)39-3)26(14-20)17-27(32)23-6-8-24(9-7-23)29(36)38-2/h4-12,14,17-18,21,25-26H,13,15-16,19H2,1-3H3,(H,34,35)/b27-17-/t21-,25+,26+,31+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonist activity against Nicotinic acetylcholine receptor (nAChR) of isolated Frog rectus Abdominis Muscle |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50314859
(CHEMBL4169123)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3ccc(Br)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29BrClNO6/c1-18-14-22-16-19(11-13-39-29(38)33-25-8-6-24(31)7-9-25)10-12-30(22,28(36)37)23(15-18)17-26(32)20-2-4-21(5-3-20)27(34)35/h2-10,12,15,17,19,22-23H,11,13-14,16H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-17-/t19-,22-,23-,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50314860
(CHEMBL4161200)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3cccc(Br)c3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29BrClNO6/c1-18-13-22-15-19(10-12-39-29(38)33-25-4-2-3-24(31)17-25)9-11-30(22,28(36)37)23(14-18)16-26(32)20-5-7-21(8-6-20)27(34)35/h2-9,11,14,16-17,19,22-23H,10,12-13,15H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-16-/t19-,22-,23-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-AhxBak-OH binding to human 45-84/C37 Bcl-xL after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314874
(CHEMBL4176611)Show SMILES [H][C@]12C[C@H](CC(=O)Nc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(=O)OC |r,c:16,t:34| Show InChI InChI=1S/C30H29Cl2NO5/c1-18-13-22-15-19(16-27(34)33-25-9-7-24(31)8-10-25)11-12-30(22,29(37)38-2)23(14-18)17-26(32)20-3-5-21(6-4-20)28(35)36/h3-12,14,17,19,22-23H,13,15-16H2,1-2H3,(H,33,34)(H,35,36)/b26-17-/t19-,22+,23+,30+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314862
(CHEMBL4169534)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3cccc(Cl)c3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29Cl2NO6/c1-18-13-22-15-19(10-12-39-29(38)33-25-4-2-3-24(31)17-25)9-11-30(22,28(36)37)23(14-18)16-26(32)20-5-7-21(8-6-20)27(34)35/h2-9,11,14,16-17,19,22-23H,10,12-13,15H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-16-/t19-,22-,23-,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50314862
(CHEMBL4169534)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3cccc(Cl)c3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29Cl2NO6/c1-18-13-22-15-19(10-12-39-29(38)33-25-4-2-3-24(31)17-25)9-11-30(22,28(36)37)23(14-18)16-26(32)20-5-7-21(8-6-20)27(34)35/h2-9,11,14,16-17,19,22-23H,10,12-13,15H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-16-/t19-,22-,23-,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314861
(CHEMBL4177395)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29Cl2NO6/c1-18-14-22-16-19(11-13-39-29(38)33-25-8-6-24(31)7-9-25)10-12-30(22,28(36)37)23(15-18)17-26(32)20-2-4-21(5-3-20)27(34)35/h2-10,12,15,17,19,22-23H,11,13-14,16H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-17-/t19-,22-,23-,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50314861
(CHEMBL4177395)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29Cl2NO6/c1-18-14-22-16-19(11-13-39-29(38)33-25-8-6-24(31)7-9-25)10-12-30(22,28(36)37)23(15-18)17-26(32)20-2-4-21(5-3-20)27(34)35/h2-10,12,15,17,19,22-23H,11,13-14,16H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-17-/t19-,22-,23-,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50315549
(CHEMBL4175537)Show SMILES [H][C@]12C[C@H](CCN=[N+]=[N-])C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:9,t:32| Show InChI InChI=1S/C29H32ClN3O8/c1-18-12-24-14-21(9-11-32-33-31)8-10-29(24,28(37)41-17-39-20(3)35)25(13-18)15-26(30)22-4-6-23(7-5-22)27(36)40-16-38-19(2)34/h4-8,10,13,15,21,24-25H,9,11-12,14,16-17H2,1-3H3/b26-15-/t21-,24-,25-,29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonism of carbachol action on nAChR of isolated frog rectus abdominus. |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50314866
(CHEMBL4161959)Show SMILES [H][C@@]1(C[C@]2([H])CC(C)=C[C@@H](\C=C(/C)[C@H]3CCC(CC3)C(O)=O)[C@@]2(C=C1)C(O)=O)[C@@H](C)CCC=C(C)C |r,wU:1.0,28.31,wD:3.3,9.9,13.12,22.27,c:7,25,(10.46,-2.76,;10.48,-4.31,;9.14,-3.52,;7.81,-4.3,;7.8,-2.76,;6.48,-3.51,;5.15,-4.3,;3.82,-3.53,;5.15,-5.84,;6.48,-6.59,;6.49,-8.13,;5.15,-8.91,;3.82,-8.14,;5.15,-10.45,;3.81,-11.21,;3.81,-12.74,;5.14,-13.52,;6.48,-12.75,;6.49,-11.2,;5.14,-15.06,;3.8,-15.82,;6.47,-15.83,;7.81,-5.84,;9.13,-6.6,;10.47,-5.85,;8.2,-7.31,;7.42,-8.64,;9.74,-7.31,;11.81,-3.54,;11.82,-2,;13.14,-4.32,;14.48,-3.55,;15.81,-4.33,;17.15,-3.57,;18.48,-4.35,;17.16,-2.03,)| Show InChI InChI=1S/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24?,25+,26-,27-,30+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314855
(CHEMBL4176314)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3ccc(cc3)C(C)=O)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:20,t:38| Show InChI InChI=1S/C32H32ClNO7/c1-19-15-25-17-21(12-14-41-31(40)34-27-9-7-22(8-10-27)20(2)35)11-13-32(25,30(38)39)26(16-19)18-28(33)23-3-5-24(6-4-23)29(36)37/h3-11,13,16,18,21,25-26H,12,14-15,17H2,1-2H3,(H,34,40)(H,36,37)(H,38,39)/b28-18-/t21-,25-,26-,32-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50315690
(CHEMBL4177447)Show SMILES [H][C@]12C[C@H](CCn3cc(nn3)-c3ccccc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:19,t:37| Show InChI InChI=1S/C31H30ClN3O4/c1-20-15-25-17-21(12-14-35-19-28(33-34-35)23-5-3-2-4-6-23)11-13-31(25,30(38)39)26(16-20)18-27(32)22-7-9-24(10-8-22)29(36)37/h2-11,13,16,18-19,21,25-26H,12,14-15,17H2,1H3,(H,36,37)(H,38,39)/b27-18-/t21-,25-,26-,31-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50314865
(CHEMBL4172616)Show SMILES [H][C@]12C[C@H](CCOC(=O)c3ccc(Oc4cccnc4)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:24,t:42| Show InChI InChI=1S/C35H32ClNO7/c1-22-17-27-19-23(13-16-43-33(40)26-8-10-29(11-9-26)44-30-3-2-15-37-21-30)12-14-35(27,34(41)42)28(18-22)20-31(36)24-4-6-25(7-5-24)32(38)39/h2-12,14-15,18,20-21,23,27-28H,13,16-17,19H2,1H3,(H,38,39)(H,41,42)/b31-20-/t23-,27-,28-,35-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50314877
(CHEMBL4171691)Show SMILES [H][C@]12C[C@H](CC(O)=O)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:8,t:31| Show InChI InChI=1S/C29H31ClO10/c1-17-10-23-12-20(13-26(33)34)8-9-29(23,28(36)40-16-38-19(3)32)24(11-17)14-25(30)21-4-6-22(7-5-21)27(35)39-15-37-18(2)31/h4-9,11,14,20,23-24H,10,12-13,15-16H2,1-3H3,(H,33,34)/b25-14-/t20-,23+,24+,29+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50314855
(CHEMBL4176314)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3ccc(cc3)C(C)=O)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:20,t:38| Show InChI InChI=1S/C32H32ClNO7/c1-19-15-25-17-21(12-14-41-31(40)34-27-9-7-22(8-10-27)20(2)35)11-13-32(25,30(38)39)26(16-19)18-28(33)23-3-5-24(6-4-23)29(36)37/h3-11,13,16,18,21,25-26H,12,14-15,17H2,1-2H3,(H,34,40)(H,36,37)(H,38,39)/b28-18-/t21-,25-,26-,32-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-AhxBak-OH binding to human 45-84/C37 Bcl-xL after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50315693
(CHEMBL4166826)Show SMILES [H][C@]12C[C@H](CCn3cc(Cc4ccccc4)nn3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:20,t:38| Show InChI InChI=1S/C32H32ClN3O4/c1-21-15-26-17-23(12-14-36-20-28(34-35-36)18-22-5-3-2-4-6-22)11-13-32(26,31(39)40)27(16-21)19-29(33)24-7-9-25(10-8-24)30(37)38/h2-11,13,16,19-20,23,26-27H,12,14-15,17-18H2,1H3,(H,37,38)(H,39,40)/b29-19-/t23-,26-,27-,32-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50314859
(CHEMBL4169123)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3ccc(Br)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29BrClNO6/c1-18-14-22-16-19(11-13-39-29(38)33-25-8-6-24(31)7-9-25)10-12-30(22,28(36)37)23(15-18)17-26(32)20-2-4-21(5-3-20)27(34)35/h2-10,12,15,17,19,22-23H,11,13-14,16H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-17-/t19-,22-,23-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-AhxBak-OH binding to human 45-84/C37 Bcl-xL after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50315693
(CHEMBL4166826)Show SMILES [H][C@]12C[C@H](CCn3cc(Cc4ccccc4)nn3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:20,t:38| Show InChI InChI=1S/C32H32ClN3O4/c1-21-15-26-17-23(12-14-36-20-28(34-35-36)18-22-5-3-2-4-6-22)11-13-32(26,31(39)40)27(16-21)19-29(33)24-7-9-25(10-8-24)30(37)38/h2-11,13,16,19-20,23,26-27H,12,14-15,17-18H2,1H3,(H,37,38)(H,39,40)/b29-19-/t23-,26-,27-,32-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50315549
(CHEMBL4175537)Show SMILES [H][C@]12C[C@H](CCN=[N+]=[N-])C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:9,t:32| Show InChI InChI=1S/C29H32ClN3O8/c1-18-12-24-14-21(9-11-32-33-31)8-10-29(24,28(37)41-17-39-20(3)35)25(13-18)15-26(30)22-4-6-23(7-5-22)27(36)40-16-38-19(2)34/h4-8,10,13,15,21,24-25H,9,11-12,14,16-17H2,1-3H3/b26-15-/t21-,24-,25-,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonism of carbachol action on nAChR of isolated frog rectus abdominus. |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50315690
(CHEMBL4177447)Show SMILES [H][C@]12C[C@H](CCn3cc(nn3)-c3ccccc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:19,t:37| Show InChI InChI=1S/C31H30ClN3O4/c1-20-15-25-17-21(12-14-35-19-28(33-34-35)23-5-3-2-4-6-23)11-13-31(25,30(38)39)26(16-20)18-27(32)22-7-9-24(10-8-22)29(36)37/h2-11,13,16,18-19,21,25-26H,12,14-15,17H2,1H3,(H,36,37)(H,38,39)/b27-18-/t21-,25-,26-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonism of carbachol action on nAChR of isolated frog rectus abdominus. |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50315670
(CHEMBL4164915)Show SMILES [H][C@]12C[C@H](CCn3cc(nn3)-c3ccccc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:19,t:42| Show InChI InChI=1S/C37H38ClN3O8/c1-24-17-31-19-27(14-16-41-21-34(39-40-41)29-7-5-4-6-8-29)13-15-37(31,36(45)49-23-47-26(3)43)32(18-24)20-33(38)28-9-11-30(12-10-28)35(44)48-22-46-25(2)42/h4-13,15,18,20-21,27,31-32H,14,16-17,19,22-23H2,1-3H3/b33-20-/t27-,31-,32-,37-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonism of carbachol action on nAChR of isolated frog rectus abdominus. |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50314873
(CHEMBL4174087)Show SMILES [H][C@]12C[C@H](CC(=O)NCc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(=O)OC |r,c:17,t:35| Show InChI InChI=1S/C31H31Cl2NO5/c1-19-13-24-15-21(16-28(35)34-18-20-3-9-26(32)10-4-20)11-12-31(24,30(38)39-2)25(14-19)17-27(33)22-5-7-23(8-6-22)29(36)37/h3-12,14,17,21,24-25H,13,15-16,18H2,1-2H3,(H,34,35)(H,36,37)/b27-17-/t21-,24+,25+,31+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonist activity against Nicotinic acetylcholine receptor (nAChR) of isolated Frog rectus Abdominis Muscle |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50314874
(CHEMBL4176611)Show SMILES [H][C@]12C[C@H](CC(=O)Nc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(=O)OC |r,c:16,t:34| Show InChI InChI=1S/C30H29Cl2NO5/c1-18-13-22-15-19(16-27(34)33-25-9-7-24(31)8-10-25)11-12-30(22,29(37)38-2)23(14-18)17-26(32)20-3-5-21(6-4-20)28(35)36/h3-12,14,17,19,22-23H,13,15-16H2,1-2H3,(H,33,34)(H,35,36)/b26-17-/t19-,22+,23+,30+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonist activity against Nicotinic acetylcholine receptor (nAChR) of isolated Frog rectus Abdominis Muscle |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50314855
(CHEMBL4176314)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3ccc(cc3)C(C)=O)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:20,t:38| Show InChI InChI=1S/C32H32ClNO7/c1-19-15-25-17-21(12-14-41-31(40)34-27-9-7-22(8-10-27)20(2)35)11-13-32(25,30(38)39)26(16-19)18-28(33)23-3-5-24(6-4-23)29(36)37/h3-11,13,16,18,21,25-26H,12,14-15,17H2,1-2H3,(H,34,40)(H,36,37)(H,38,39)/b28-18-/t21-,25-,26-,32-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314877
(CHEMBL4171691)Show SMILES [H][C@]12C[C@H](CC(O)=O)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:8,t:31| Show InChI InChI=1S/C29H31ClO10/c1-17-10-23-12-20(13-26(33)34)8-9-29(23,28(36)40-16-38-19(3)32)24(11-17)14-25(30)21-4-6-22(7-5-21)27(35)39-15-37-18(2)31/h4-9,11,14,20,23-24H,10,12-13,15-16H2,1-3H3,(H,33,34)/b25-14-/t20-,23+,24+,29+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonism of carbachol action on nAChR of isolated frog rectus abdominus. |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314947
(CHEMBL4175134)Show SMILES [H][C@]12C[C@H](CC(=O)NCc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:17,t:35| Show InChI InChI=1S/C30H29Cl2NO5/c1-18-12-23-14-20(15-27(34)33-17-19-2-8-25(31)9-3-19)10-11-30(23,29(37)38)24(13-18)16-26(32)21-4-6-22(7-5-21)28(35)36/h2-11,13,16,20,23-24H,12,14-15,17H2,1H3,(H,33,34)(H,35,36)(H,37,38)/b26-16-/t20-,23+,24+,30+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonism of carbachol action on nAChR of isolated frog rectus abdominus. |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50314862
(CHEMBL4169534)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3cccc(Cl)c3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29Cl2NO6/c1-18-13-22-15-19(10-12-39-29(38)33-25-4-2-3-24(31)17-25)9-11-30(22,28(36)37)23(14-18)16-26(32)20-5-7-21(8-6-20)27(34)35/h2-9,11,14,16-17,19,22-23H,10,12-13,15H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-16-/t19-,22-,23-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-AhxBak-OH binding to human 45-84/C37 Bcl-xL after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50314861
(CHEMBL4177395)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29Cl2NO6/c1-18-14-22-16-19(11-13-39-29(38)33-25-8-6-24(31)7-9-25)10-12-30(22,28(36)37)23(15-18)17-26(32)20-2-4-21(5-3-20)27(34)35/h2-10,12,15,17,19,22-23H,11,13-14,16H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-17-/t19-,22-,23-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-AhxBak-OH binding to human 45-84/C37 Bcl-xL after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314873
(CHEMBL4174087)Show SMILES [H][C@]12C[C@H](CC(=O)NCc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(=O)OC |r,c:17,t:35| Show InChI InChI=1S/C31H31Cl2NO5/c1-19-13-24-15-21(16-28(35)34-18-20-3-9-26(32)10-4-20)11-12-31(24,30(38)39-2)25(14-19)17-27(33)22-5-7-23(8-6-22)29(36)37/h3-12,14,17,21,24-25H,13,15-16,18H2,1-2H3,(H,34,35)(H,36,37)/b27-17-/t21-,24+,25+,31+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonist activity against Nicotinic acetylcholine receptor (nAChR) of isolated Frog rectus Abdominis Muscle |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314876
(CHEMBL4163814)Show SMILES [H][C@]12C[C@H](CCO)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:7,t:30| Show InChI InChI=1S/C29H33ClO9/c1-18-12-24-14-21(9-11-31)8-10-29(24,28(35)39-17-37-20(3)33)25(13-18)15-26(30)22-4-6-23(7-5-22)27(34)38-16-36-19(2)32/h4-8,10,13,15,21,24-25,31H,9,11-12,14,16-17H2,1-3H3/b26-15-/t21-,24-,25-,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314866
(CHEMBL4161959)Show SMILES [H][C@@]1(C[C@]2([H])CC(C)=C[C@@H](\C=C(/C)[C@H]3CCC(CC3)C(O)=O)[C@@]2(C=C1)C(O)=O)[C@@H](C)CCC=C(C)C |r,wU:1.0,28.31,wD:3.3,9.9,13.12,22.27,c:7,25,(10.46,-2.76,;10.48,-4.31,;9.14,-3.52,;7.81,-4.3,;7.8,-2.76,;6.48,-3.51,;5.15,-4.3,;3.82,-3.53,;5.15,-5.84,;6.48,-6.59,;6.49,-8.13,;5.15,-8.91,;3.82,-8.14,;5.15,-10.45,;3.81,-11.21,;3.81,-12.74,;5.14,-13.52,;6.48,-12.75,;6.49,-11.2,;5.14,-15.06,;3.8,-15.82,;6.47,-15.83,;7.81,-5.84,;9.13,-6.6,;10.47,-5.85,;8.2,-7.31,;7.42,-8.64,;9.74,-7.31,;11.81,-3.54,;11.82,-2,;13.14,-4.32,;14.48,-3.55,;15.81,-4.33,;17.15,-3.57,;18.48,-4.35,;17.16,-2.03,)| Show InChI InChI=1S/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24?,25+,26-,27-,30+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50315549
(CHEMBL4175537)Show SMILES [H][C@]12C[C@H](CCN=[N+]=[N-])C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:9,t:32| Show InChI InChI=1S/C29H32ClN3O8/c1-18-12-24-14-21(9-11-32-33-31)8-10-29(24,28(37)41-17-39-20(3)35)25(13-18)15-26(30)22-4-6-23(7-5-22)27(36)40-16-38-19(2)34/h4-8,10,13,15,21,24-25H,9,11-12,14,16-17H2,1-3H3/b26-15-/t21-,24-,25-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonism of carbachol action on nAChR of isolated frog rectus abdominus. |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314854
(CHEMBL4165700)Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3cccnc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:17,t:35| Show InChI InChI=1S/C29H29ClN2O6/c1-18-13-22-15-19(9-12-38-28(37)32-24-3-2-11-31-17-24)8-10-29(22,27(35)36)23(14-18)16-25(30)20-4-6-21(7-5-20)26(33)34/h2-8,10-11,14,16-17,19,22-23H,9,12-13,15H2,1H3,(H,32,37)(H,33,34)(H,35,36)/b25-16-/t19-,22-,23-,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314875
(CHEMBL4168747)Show SMILES [H][C@]12C[C@H](CC(=O)Nc3ccc(cc3)N3CCOCC3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(=O)OC |r,c:22,t:40| Show InChI InChI=1S/C34H37ClN2O6/c1-22-17-26-19-23(20-31(38)36-28-7-9-29(10-8-28)37-13-15-43-16-14-37)11-12-34(26,33(41)42-2)27(18-22)21-30(35)24-3-5-25(6-4-24)32(39)40/h3-12,18,21,23,26-27H,13-17,19-20H2,1-2H3,(H,36,38)(H,39,40)/b30-21-/t23-,26+,27+,34+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314884
(CHEMBL4167271)Show SMILES [H][C@]12C[C@H](CC(=O)NCc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:17,t:40| Show InChI InChI=1S/C36H37Cl2NO9/c1-22-14-29-16-26(17-33(42)39-19-25-4-10-31(37)11-5-25)12-13-36(29,35(44)48-21-46-24(3)41)30(15-22)18-32(38)27-6-8-28(9-7-27)34(43)47-20-45-23(2)40/h4-13,15,18,26,29-30H,14,16-17,19-21H2,1-3H3,(H,39,42)/b32-18-/t26-,29+,30+,36+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonism of carbachol action on nAChR of isolated frog rectus abdominus. |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50314866
(CHEMBL4161959)Show SMILES [H][C@@]1(C[C@]2([H])CC(C)=C[C@@H](\C=C(/C)[C@H]3CCC(CC3)C(O)=O)[C@@]2(C=C1)C(O)=O)[C@@H](C)CCC=C(C)C |r,wU:1.0,28.31,wD:3.3,9.9,13.12,22.27,c:7,25,(10.46,-2.76,;10.48,-4.31,;9.14,-3.52,;7.81,-4.3,;7.8,-2.76,;6.48,-3.51,;5.15,-4.3,;3.82,-3.53,;5.15,-5.84,;6.48,-6.59,;6.49,-8.13,;5.15,-8.91,;3.82,-8.14,;5.15,-10.45,;3.81,-11.21,;3.81,-12.74,;5.14,-13.52,;6.48,-12.75,;6.49,-11.2,;5.14,-15.06,;3.8,-15.82,;6.47,-15.83,;7.81,-5.84,;9.13,-6.6,;10.47,-5.85,;8.2,-7.31,;7.42,-8.64,;9.74,-7.31,;11.81,-3.54,;11.82,-2,;13.14,-4.32,;14.48,-3.55,;15.81,-4.33,;17.15,-3.57,;18.48,-4.35,;17.16,-2.03,)| Show InChI InChI=1S/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24?,25+,26-,27-,30+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Inhibition of FITC-AhxBak-OH binding to human 45-84/C37 Bcl-xL after 2 hrs by fluorescent polarization assay |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50314869
(CHEMBL4167274)Show SMILES [H][C@]12C[C@H](CC(=O)NCCc3ccc(Cl)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OC)C=C(C)C2)C(=O)OC |r,c:18,t:37| Show InChI InChI=1S/C33H35Cl2NO5/c1-21-16-26-18-23(19-30(37)36-15-13-22-4-10-28(34)11-5-22)12-14-33(26,32(39)41-3)27(17-21)20-29(35)24-6-8-25(9-7-24)31(38)40-2/h4-12,14,17,20,23,26-27H,13,15-16,18-19H2,1-3H3,(H,36,37)/b29-20-/t23-,26+,27+,33+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris-Saclay
Curated by ChEMBL
| Assay Description
Antagonist activity against Nicotinic acetylcholine receptor (nAChR) of isolated Frog rectus Abdominis Muscle |
Eur J Med Chem 148: 26-38 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW |
More data for this
Ligand-Target Pair | |
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