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BDBM86313 CAS_114-07-8::NSC_12560::erythromycin-A

SMILES: CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O

InChI Key: InChIKey=ULGZDMOVFRHVEP-UHFFFAOYSA-N

Data: 3 KI

PDB links: 13 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 86313   
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
Motilin


(RABBIT)
BDBM86313
PNG
(CAS_114-07-8 | NSC_12560 | erythromycin-A)
Show SMILES CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
Show InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3
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Article
PubMed
191n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Br J Pharmacol 140: 948-54 (2003)

More data for this
Ligand-Target Pair
Motilin


(HUMAN)
BDBM86313
PNG
(CAS_114-07-8 | NSC_12560 | erythromycin-A)
Show SMILES CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
Show InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3
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PubMed
513n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Br J Pharmacol 140: 948-54 (2003)

More data for this
Ligand-Target Pair
Motilin


(HUMAN)
BDBM86313
PNG
(CAS_114-07-8 | NSC_12560 | erythromycin-A)
Show SMILES CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
Show InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3
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3.09E+3n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 1397-405 (2005)

More data for this
Ligand-Target Pair