Found 4 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50140247
(CHEMBL3754255)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]1CNC[C@@H]1NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C80H131N25O19/c1-40(2)32-56(72(118)91-39-63(108)95-60(36-64(109)110)75(121)93-43(6)67(113)102-58(34-45-18-9-8-10-19-45)77(123)105-59(35-62(82)107)78(124)99-53(65(83)111)27-16-30-89-79(84)85)104-74(120)54(23-11-12-29-81)100-69(115)47-21-14-26-52(47)98-76(122)57(33-41(3)4)103-70(116)48-22-15-25-51(48)97-73(119)55(28-17-31-90-80(86)87)101-68(114)46-20-13-24-50(46)96-66(112)42(5)92-71(117)49-37-88-38-61(49)94-44(7)106/h8-10,18-19,40-43,46-61,88H,11-17,20-39,81H2,1-7H3,(H2,82,107)(H2,83,111)(H,91,118)(H,92,117)(H,93,121)(H,94,106)(H,95,108)(H,96,112)(H,97,119)(H,98,122)(H,99,124)(H,100,115)(H,101,114)(H,102,113)(H,103,116)(H,104,120)(H,105,123)(H,109,110)(H4,84,85,89)(H4,86,87,90)/t42-,43-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wroclaw University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of BCL-xL-BH3 domain (unknown origin) interaction |
Bioorg Med Chem Lett 26: 707-13 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.084
BindingDB Entry DOI: 10.7270/Q2668G28 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50140248
(CHEMBL3752382)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C70H109N19O19/c1-34(2)26-47(62(100)81-45(22-23-56(94)95)60(98)80-44(16-11-12-24-71)59(97)84-49(28-36(5)6)64(102)85-48(27-35(3)4)63(101)82-46(69(107)108)17-13-25-77-70(75)76)86-66(104)52(31-54(72)92)83-58(96)37(7)79-61(99)50(29-39-18-20-41(91)21-19-39)87-65(103)51(30-40-33-78-43-15-10-9-14-42(40)43)88-67(105)53(32-55(73)93)89-68(106)57(74)38(8)90/h9-10,14-15,18-21,33-38,44-53,57,78,90-91H,11-13,16-17,22-32,71,74H2,1-8H3,(H2,72,92)(H2,73,93)(H,79,99)(H,80,98)(H,81,100)(H,82,101)(H,83,96)(H,84,97)(H,85,102)(H,86,104)(H,87,103)(H,88,105)(H,89,106)(H,94,95)(H,107,108)(H4,75,76,77)/t37-,38+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a |
Wroclaw University of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to MDM2 (unknown origin) |
Bioorg Med Chem Lett 26: 707-13 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.084
BindingDB Entry DOI: 10.7270/Q2668G28 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50140252
(CHEMBL3754474)Show SMILES CC(C)C[C@H](NC(=O)[C@]1(C)CCCCCCCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C63H103N19O17/c1-34(2)24-42(53(91)74-40(17-19-48(65)85)52(90)77-46(28-50(87)88)57(95)78-47(31-83)51(67)89)79-61(99)63(7)22-14-11-9-8-10-13-21-62(6,81-58(96)39(16-12-15-23-64)73-55(93)44(72-36(5)84)26-37-29-68-32-70-37)60(98)80-43(25-35(3)4)54(92)76-45(27-38-30-69-33-71-38)56(94)75-41(59(97)82-63)18-20-49(66)86/h29-30,32-35,39-47,83H,8-28,31,64H2,1-7H3,(H2,65,85)(H2,66,86)(H2,67,89)(H,68,70)(H,69,71)(H,72,84)(H,73,93)(H,74,91)(H,75,94)(H,76,92)(H,77,90)(H,78,95)(H,79,99)(H,80,98)(H,81,96)(H,82,97)(H,87,88)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,62-,63-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 352 | n/a | n/a | n/a | n/a | n/a |
Wroclaw University of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to ERalpha (unknown origin) |
Bioorg Med Chem Lett 26: 707-13 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.084
BindingDB Entry DOI: 10.7270/Q2668G28 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50140250
(CHEMBL3754073)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r| Show InChI InChI=1S/C97H140N28O24S4/c1-48(2)34-65(85(138)112-62(27-29-75(100)128)83(136)114-64(79(102)132)39-55-42-105-47-108-55)117-92(145)72-44-151-150-43-58(99)80(133)115-70(40-76(101)129)90(143)123-71-45-152-153-46-73(93(146)118-67(37-53-23-25-56(127)26-24-53)87(140)119-69(38-54-41-107-59-19-11-10-18-57(54)59)89(142)110-61(82(135)121-72)21-14-32-106-97(103)104)122-86(139)66(35-49(3)4)116-88(141)68(36-52-16-8-7-9-17-52)120-95(148)78(51(6)126)124-84(137)63(28-30-77(130)131)113-94(147)74-22-15-33-125(74)96(149)50(5)109-81(134)60(111-91(71)144)20-12-13-31-98/h7-11,16-19,23-26,41-42,47-51,58,60-74,78,107,126-127H,12-15,20-22,27-40,43-46,98-99H2,1-6H3,(H2,100,128)(H2,101,129)(H2,102,132)(H,105,108)(H,109,134)(H,110,142)(H,111,144)(H,112,138)(H,113,147)(H,114,136)(H,115,133)(H,116,141)(H,117,145)(H,118,146)(H,119,140)(H,120,148)(H,121,135)(H,122,139)(H,123,143)(H,124,137)(H,130,131)(H4,103,104,106)/t50-,51+,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71?,72-,73?,74-,78-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.77E+4 | n/a | n/a | n/a | n/a | n/a |
Wroclaw University of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to MDM2 (unknown origin) |
Bioorg Med Chem Lett 26: 707-13 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.084
BindingDB Entry DOI: 10.7270/Q2668G28 |
More data for this
Ligand-Target Pair | |
Search and Browse
