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SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N

InChI Key: InChIKey=JGTNOTDHRYCLCZ-UCVHAVGFSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50462987   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM50462987
PNG
(CHEMBL4250610)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r|
Show InChI InChI=1S/C47H87N17O10S2/c1-9-26(8)36-45(74)61-32(20-25(6)7)42(71)63-33(21-75-76-22-34(44(73)64-36)62-38(67)27(48)12-10-16-55-46(51)52)43(72)58-29(13-11-17-56-47(53)54)39(68)59-31(19-24(4)5)41(70)60-30(18-23(2)3)40(69)57-28(37(50)66)14-15-35(49)65/h23-34,36H,9-22,48H2,1-8H3,(H2,49,65)(H2,50,66)(H,57,69)(H,58,72)(H,59,68)(H,60,70)(H,61,74)(H,62,67)(H,63,71)(H,64,73)(H4,51,52,55)(H4,53,54,56)/t26-,27-,28-,29-,30-,31-,32-,33+,34+,36-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



Peking University Shenzhen Graduate School

Curated by ChEMBL


Assay Description
Antagonist activity at full length recombinant human ERalpha expressed in baculovirus expression system assessed as inhibition of estradiol-induced E...


Bioorg Med Chem Lett 28: 2827-2836 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.062
BindingDB Entry DOI: 10.7270/Q2M90CBB
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50462987
PNG
(CHEMBL4250610)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r|
Show InChI InChI=1S/C47H87N17O10S2/c1-9-26(8)36-45(74)61-32(20-25(6)7)42(71)63-33(21-75-76-22-34(44(73)64-36)62-38(67)27(48)12-10-16-55-46(51)52)43(72)58-29(13-11-17-56-47(53)54)39(68)59-31(19-24(4)5)41(70)60-30(18-23(2)3)40(69)57-28(37(50)66)14-15-35(49)65/h23-34,36H,9-22,48H2,1-8H3,(H2,49,65)(H2,50,66)(H,57,69)(H,58,72)(H,59,68)(H,60,70)(H,61,74)(H,62,67)(H,63,71)(H,64,73)(H4,51,52,55)(H4,53,54,56)/t26-,27-,28-,29-,30-,31-,32-,33+,34+,36-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
77n/an/an/an/an/an/an/an/a



Peking University Shenzhen Graduate School

Curated by ChEMBL


Assay Description
Antagonist activity at full length recombinant human ERbeta expressed in baculovirus expression system assessed as inhibition of estradiol-induced Eu...


Bioorg Med Chem Lett 28: 2827-2836 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.062
BindingDB Entry DOI: 10.7270/Q2M90CBB
More data for this
Ligand-Target Pair