Found 202 hits Enz. Inhib. hit(s) with Target = 'Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)' 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 |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM21447
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| | <40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50158353
(CHEMBL3780803 | US10858316, Compound 3bj)Show SMILES CC(C)CN(c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C29H28ClNO6S/c1-17(2)16-31(20-9-11-21(12-10-20)37-22-13-18(3)27(30)19(4)14-22)38(35,36)26-15-25(29(33)34)28(32)24-8-6-5-7-23(24)26/h5-15,17,32H,16H2,1-4H3,(H,33,34) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50158326
(CHEMBL3781669 | US10858316, Compound 3bg)Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C23H15Cl2NO6S/c24-13-5-10-20(19(25)11-13)32-15-8-6-14(7-9-15)26-33(30,31)21-12-18(23(28)29)22(27)17-4-2-1-3-16(17)21/h1-12,26-27H,(H,28,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50158322
(CHEMBL3780225 | US10858316, Compound 3bd)Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2cccc3ccccc23)cc1 Show InChI InChI=1S/C27H19NO6S/c29-26-22-10-4-3-9-21(22)25(16-23(26)27(30)31)35(32,33)28-18-12-14-19(15-13-18)34-24-11-5-7-17-6-1-2-8-20(17)24/h1-16,28-29H,(H,30,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM473829
(US10858316, Compound 3bk)Show SMILES Cc1cc(Oc2ccc(cc2)N(C2C=CC=C2)S(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc(C)c1Cl |c:14,16| Show InChI InChI=1S/C30H24ClNO6S/c1-18-15-23(16-19(2)28(18)31)38-22-13-11-21(12-14-22)32(20-7-3-4-8-20)39(36,37)27-17-26(30(34)35)29(33)25-10-6-5-9-24(25)27/h3-17,20,33H,1-2H3,(H,34,35) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50158324
(CHEMBL3780311 | US10858316, Compound 3be)Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2cccc(Br)c2)cc1 Show InChI InChI=1S/C23H16BrNO6S/c24-14-4-3-5-17(12-14)31-16-10-8-15(9-11-16)25-32(29,30)21-13-20(23(27)28)22(26)19-7-2-1-6-18(19)21/h1-13,25-26H,(H,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618605
(US11760752, Compound CG-1-019)Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(c(NCc5ccco5)c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 325 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50158355
(CHEMBL3781822 | US10858316, Compound 3bl)Show SMILES Cc1cc(Oc2ccc(cc2)N(Cc2ccccc2)S(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc(C)c1Cl Show InChI InChI=1S/C32H26ClNO6S/c1-20-16-25(17-21(2)30(20)33)40-24-14-12-23(13-15-24)34(19-22-8-4-3-5-9-22)41(38,39)29-18-28(32(36)37)31(35)27-11-7-6-10-26(27)29/h3-18,35H,19H2,1-2H3,(H,36,37) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50158325
(CHEMBL3781894 | US10858316, Compound 3bf)Show SMILES Cc1cc(C)cc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)c1 Show InChI InChI=1S/C25H21NO6S/c1-15-11-16(2)13-19(12-15)32-18-9-7-17(8-10-18)26-33(30,31)23-14-22(25(28)29)24(27)21-6-4-3-5-20(21)23/h3-14,26-27H,1-2H3,(H,28,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618603
(US11760752, Compound CG-1-016)Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(c(c4)N4CCOCC4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 436 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618604
(US11760752, Compound CG-1-018)Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(c(NCc5cccnc5)c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 436 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50158333
(CHEMBL3780473 | US10858316, Compound 3bi)Show SMILES Cc1cc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)cc(C)c1Cl Show InChI InChI=1S/C25H20ClNO6S/c1-14-11-18(12-15(2)23(14)26)33-17-9-7-16(8-10-17)27-34(31,32)22-13-21(25(29)30)24(28)20-6-4-3-5-19(20)22/h3-13,27-28H,1-2H3,(H,29,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| US Patent
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618602
(US11760752, Compound NB-1-089)Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(NCc5ccco5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 551 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618587
(US11760752, Compound NB-1-087)Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(NCc5cccnc5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 557 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618479
(US11760752, Compound BD-3-181)Show SMILES Cc1cc(OCCCn2nc(C(=O)NS(=O)(=O)c3ccc(NCc4cccnc4)c(c3)[N+]([O-])=O)c3cc(Cl)ccc23)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 574 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618478
(US11760752, Compound BD-3-180)Show SMILES Cc1cc(OCCCn2nc(C(=O)NS(=O)(=O)c3ccc(NCc4ccco4)c(c3)[N+]([O-])=O)c3cc(Cl)ccc23)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 597 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50158186
(CHEMBL3781396 | US10858316, Compound 3bc)Show SMILES Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)cc1 Show InChI InChI=1S/C24H19NO6S/c1-15-6-10-17(11-7-15)31-18-12-8-16(9-13-18)25-32(29,30)22-14-21(24(27)28)23(26)20-5-3-2-4-19(20)22/h2-14,25-26H,1H3,(H,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618586
(US11760752, Compound NB-1-086)Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(N5CCOCC5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618573
(US11760752, Compound NB-1-084)Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(Cl)cc4)c4cc(Cl)ccc34)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618499
(US11760752, Compound BD-3-184)Show SMILES Cc1cc(OCCCn2nc(C(=O)NS(=O)(=O)c3ccc(NCC4CCCO4)c(c3)[N+]([O-])=O)c3cc(Cl)ccc23)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618487
(US11760752, Compound BD-3-183)Show SMILES Cc1cc(OCCCn2nc(C(=O)NS(=O)(=O)c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)c3cc(Cl)ccc23)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50424749
(CHEMBL2314171 | US11760752, Compound Fesik Indole)Show SMILES Cc1cc(OCCCc2c(C(O)=O)n(C)c3cc(Cl)ccc23)cc(C)c1Cl Show InChI InChI=1S/C21H21Cl2NO3/c1-12-9-15(10-13(2)19(12)23)27-8-4-5-17-16-7-6-14(22)11-18(16)24(3)20(17)21(25)26/h6-7,9-11H,4-5,8H2,1-3H3,(H,25,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM473862
(3-(4-(4-chloro-3,5- dimethylphenoxy)- N- isobutylp...)Show SMILES CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1 Show InChI InChI=1S/C25H26ClNO6S/c1-15(2)14-27(18-5-10-22(25(29)30)23(28)13-18)34(31,32)21-8-6-19(7-9-21)33-20-11-16(3)24(26)17(4)12-20/h5-13,15,28H,14H2,1-4H3,(H,29,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM473868
(4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...)Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl Show InChI InChI=1S/C28H24ClNO6S/c1-18-14-23(15-19(2)27(18)29)36-22-9-11-24(12-10-22)37(34,35)30(17-20-6-4-3-5-7-20)21-8-13-25(28(32)33)26(31)16-21/h3-16,31H,17H2,1-2H3,(H,32,33) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM473868
(4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...)Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl Show InChI InChI=1S/C28H24ClNO6S/c1-18-14-23(15-19(2)27(18)29)36-22-9-11-24(12-10-22)37(34,35)30(17-20-6-4-3-5-7-20)21-8-13-25(28(32)33)26(31)16-21/h3-16,31H,17H2,1-2H3,(H,32,33) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM473894
(5-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...)Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(O)c(c2)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C28H24ClNO6S/c1-18-14-23(15-19(2)27(18)29)36-22-9-11-24(12-10-22)37(34,35)30(17-20-6-4-3-5-7-20)21-8-13-26(31)25(16-21)28(32)33/h3-16,31H,17H2,1-2H3,(H,32,33) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM473863
(4-(N- cyclopentyl- naphthalene- 2-sulfonamido)-2- ...)Show SMILES OC(=O)c1ccc(cc1O)N(C1CCCC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H21NO5S/c24-21-14-18(10-12-20(21)22(25)26)23(17-7-3-4-8-17)29(27,28)19-11-9-15-5-1-2-6-16(15)13-19/h1-2,5-6,9-14,17,24H,3-4,7-8H2,(H,25,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50589722
(CHEMBL5198608 | US11760752, Compound 50)Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(O)=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50158168
(CHEMBL3780113 | US10858316, Compound 3o)Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Br)cc1Br Show InChI InChI=1S/C17H11Br2NO5S/c18-9-5-6-14(13(19)7-9)20-26(24,25)15-8-12(17(22)23)16(21)11-4-2-1-3-10(11)15/h1-8,20-21H,(H,22,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 2.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) -44,87-209]
(Human) | BDBM50424726
(CHEMBL2314176 | US10093640, Example 6 | US10844032...)Show SMILES Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H18Cl2O3S/c1-11-8-14(9-12(2)18(11)22)25-7-3-4-16-15-6-5-13(21)10-17(15)26-19(16)20(23)24/h5-6,8-10H,3-4,7H2,1-2H3,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen... |
US Patent US10844032 (2020)
BindingDB Entry DOI: 10.7270/Q2959MNH |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM473880
(5-(4-(4-chloro-3,5- dimethylphenoxy)- N-isobutylph...)Show SMILES CC(C)CN(c1ccc(O)c(c1)C(O)=O)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1 Show InChI InChI=1S/C25H26ClNO6S/c1-15(2)14-27(18-5-10-23(28)22(13-18)25(29)30)34(31,32)21-8-6-19(7-9-21)33-20-11-16(3)24(26)17(4)12-20/h5-13,15,28H,14H2,1-4H3,(H,29,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 2.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM473893
(US10858316, Compound LC-5-188 | US10858316, Compou...)Show SMILES Cc1cc(CCCN(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl Show InChI InChI=1S/C25H26ClNO3/c1-17-13-20(14-18(2)24(17)26)9-6-12-27(16-19-7-4-3-5-8-19)21-10-11-22(25(29)30)23(28)15-21/h3-5,7-8,10-11,13-15,28H,6,9,12,16H2,1-2H3,(H,29,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 2.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) -44,87-209]
(Human) | BDBM50424725
(CHEMBL2314177 | US10093640, Example 5 | US10844032...)Show InChI InChI=1S/C22H17ClO3S/c23-15-10-11-17-18(21(22(24)25)27-20(17)13-15)8-4-12-26-19-9-3-6-14-5-1-2-7-16(14)19/h1-3,5-7,9-11,13H,4,8,12H2,(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen... |
US Patent US10844032 (2020)
BindingDB Entry DOI: 10.7270/Q2959MNH |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618619
(US11760752, Compound 35)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4ccco4)c(c3)N(=O)=O)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618620
(US11760752, Compound 36)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccn(C)n4)c(c3)N(=O)=O)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 3.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618621
(US11760752, Compound 37)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4cccnc4)c(c3)N(=O)=O)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 4.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50158184
(CHEMBL3780576 | US10858316, Compound 3ba)Show SMILES CC(C)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C24H27NO6S/c1-15(2)14-25(17-9-11-18(12-10-17)31-16(3)4)32(29,30)22-13-21(24(27)28)23(26)20-8-6-5-7-19(20)22/h5-13,15-16,26H,14H2,1-4H3,(H,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 6.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE
US Patent
| Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo... |
US Patent US10858316 (2020)
BindingDB Entry DOI: 10.7270/Q20R9SHV |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618625
(US11760752, Compound 41)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(c3)N3CCOCC3)N(=O)=O)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 6.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618628
(US11760752, Compound 44)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4ccn(C)n4)c3)N(=O)=O)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 7.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618616
(US11760752, Compound 32)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(N4CCOCC4)c(c3)N(=O)=O)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 7.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618627
(US11760752, Compound 43)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCCc4ccco4)c3)N(=O)=O)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618629
(US11760752, Compound 45)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4cccnc4)c3)N(=O)=O)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618630
(US11760752, Compound 46)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCCc4cccnc4)c3)N(=O)=O)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618631
(US11760752, Compound 47)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4ccncc4)c3)N(=O)=O)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) -44,87-209]
(Human) | BDBM50424738
(CHEMBL2314516 | US10093640, Example 1 | US10844032...)Show InChI InChI=1S/C22H18O3S/c23-22(24)21-18(17-10-3-4-13-20(17)26-21)11-6-14-25-19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-10,12-13H,6,11,14H2,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen... |
US Patent US10844032 (2020)
BindingDB Entry DOI: 10.7270/Q2959MNH |
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50589724
(CHEMBL5188517 | US11760752, Compound 31)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM618618
(US11760752, Compound 34)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccco4)c(c3)N(=O)=O)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50589731
(CHEMBL5182327 | US11760752, Compound 38)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4cccnc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50589732
(CHEMBL5207619 | US11760752, Compound 39)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccncc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50589733
(CHEMBL5183183 | US11760752, Compound 40)Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4ccncc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |