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BDBM50292509 (8S,11S,14S,17S,20S,23S)-23-((S)-2-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanamido)-4-methylpentanamido)-11,14,17,20-tetrakis(2-carboxyethyl)-8-methyl-4,7,10,13,16,19,22-heptaoxo-5-(2,3,5,6-tetrafluoro-4-hydroxybenzyl)-3,6,9,12,15,18,21-heptaazahexacosane-1,26-dioic acid::CHEMBL2372245

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c(F)c(F)c(O)c(F)c1F)C(=O)NCC(O)=O

InChI Key: InChIKey=XVKISXSPXIZDKD-BKLNJXEVSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50292509   
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
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50292509
PNG
((8S,11S,14S,17S,20S,23S)-23-((S)-2-((S)-2-((S)-2-a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c(F)c(F)c(O)c(F)c1F)C(=O)NCC(O)=O
Show InChI InChI=1S/C57H85F4N17O23/c1-23(2)20-33(78-50(96)27(7-5-19-68-57(65)66)71-47(93)26(62)6-4-18-67-56(63)64)55(101)76-32(12-17-39(87)88)54(100)75-31(11-16-38(85)86)53(99)74-30(10-15-37(83)84)52(98)73-29(9-14-36(81)82)51(97)72-28(8-13-35(79)80)49(95)70-24(3)46(92)77-34(48(94)69-22-40(89)90)21-25-41(58)43(60)45(91)44(61)42(25)59/h23-24,26-34,91H,4-22,62H2,1-3H3,(H,69,94)(H,70,95)(H,71,93)(H,72,97)(H,73,98)(H,74,99)(H,75,100)(H,76,101)(H,77,92)(H,78,96)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H4,63,64,67)(H4,65,66,68)/t24-,26-,27-,28-,29-,30-,31-,32-,33-,34?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50292509
PNG
((8S,11S,14S,17S,20S,23S)-23-((S)-2-((S)-2-((S)-2-a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c(F)c(F)c(O)c(F)c1F)C(=O)NCC(O)=O
Show InChI InChI=1S/C57H85F4N17O23/c1-23(2)20-33(78-50(96)27(7-5-19-68-57(65)66)71-47(93)26(62)6-4-18-67-56(63)64)55(101)76-32(12-17-39(87)88)54(100)75-31(11-16-38(85)86)53(99)74-30(10-15-37(83)84)52(98)73-29(9-14-36(81)82)51(97)72-28(8-13-35(79)80)49(95)70-24(3)46(92)77-34(48(94)69-22-40(89)90)21-25-41(58)43(60)45(91)44(61)42(25)59/h23-24,26-34,91H,4-22,62H2,1-3H3,(H,69,94)(H,70,95)(H,71,93)(H,72,97)(H,73,98)(H,74,99)(H,75,100)(H,76,101)(H,77,92)(H,78,96)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H4,63,64,67)(H4,65,66,68)/t24-,26-,27-,28-,29-,30-,31-,32-,33-,34?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair