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BDBM81937 CAS_9050-30-0::HS,(+/-)::Heparitin, sulfate

SMILES: CC(=O)N[C@H]1CO[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4OS(O)(=O)=O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@@H]1O

InChI Key: InChIKey=IBDMHRBUHNTWIP-ZCAFUMHMSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 81937   
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
Muscarinic acetylcholine receptor M3


(RAT)
BDBM81937
PNG
(CAS_9050-30-0 | HS,(+/-) | Heparitin, sulfate)
Show SMILES CC(=O)N[C@H]1CO[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4OS(O)(=O)=O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@@H]1O
Show InChI InChI=1S/C26H42N2O36S5/c1-5(30)27-6-3-54-8(4-55-66(42,43)44)14(10(6)31)57-26-20(64-69(51,52)53)13(34)17(21(61-26)23(37)38)59-24-9(28-65(39,40)41)16(62-67(45,46)47)15(7(2-29)56-24)58-25-19(63-68(48,49)50)12(33)11(32)18(60-25)22(35)36/h6-21,24-26,28-29,31-34H,2-4H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/t6-,7+,8+,9+,10+,11-,12-,13-,14+,15+,16+,17-,18+,19+,20+,21-,24+,25+,26+/m0/s1
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Article
PubMed
6.31n/an/an/an/an/an/an/an/a



National Institute for Medical Research

Curated by PDSP Ki Database




Annu Rev Pharmacol Toxicol 30: 633-73 (1990)


Article DOI: 10.1146/annurev.pa.30.040190.003221
BindingDB Entry DOI: 10.7270/Q21Z42WK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM81937
PNG
(CAS_9050-30-0 | HS,(+/-) | Heparitin, sulfate)
Show SMILES CC(=O)N[C@H]1CO[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4OS(O)(=O)=O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@@H]1O
Show InChI InChI=1S/C26H42N2O36S5/c1-5(30)27-6-3-54-8(4-55-66(42,43)44)14(10(6)31)57-26-20(64-69(51,52)53)13(34)17(21(61-26)23(37)38)59-24-9(28-65(39,40)41)16(62-67(45,46)47)15(7(2-29)56-24)58-25-19(63-68(48,49)50)12(33)11(32)18(60-25)22(35)36/h6-21,24-26,28-29,31-34H,2-4H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/t6-,7+,8+,9+,10+,11-,12-,13-,14+,15+,16+,17-,18+,19+,20+,21-,24+,25+,26+/m0/s1
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Article
PubMed
12.6n/an/an/an/an/an/an/an/a



National Institute for Medical Research

Curated by PDSP Ki Database




Annu Rev Pharmacol Toxicol 30: 633-73 (1990)


Article DOI: 10.1146/annurev.pa.30.040190.003221
BindingDB Entry DOI: 10.7270/Q21Z42WK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM81937
PNG
(CAS_9050-30-0 | HS,(+/-) | Heparitin, sulfate)
Show SMILES CC(=O)N[C@H]1CO[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4OS(O)(=O)=O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@@H]1O
Show InChI InChI=1S/C26H42N2O36S5/c1-5(30)27-6-3-54-8(4-55-66(42,43)44)14(10(6)31)57-26-20(64-69(51,52)53)13(34)17(21(61-26)23(37)38)59-24-9(28-65(39,40)41)16(62-67(45,46)47)15(7(2-29)56-24)58-25-19(63-68(48,49)50)12(33)11(32)18(60-25)22(35)36/h6-21,24-26,28-29,31-34H,2-4H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/t6-,7+,8+,9+,10+,11-,12-,13-,14+,15+,16+,17-,18+,19+,20+,21-,24+,25+,26+/m0/s1
PDB

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UniChem

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Article
PubMed
126n/an/an/an/an/an/an/an/a



National Institute for Medical Research

Curated by PDSP Ki Database




Annu Rev Pharmacol Toxicol 30: 633-73 (1990)


Article DOI: 10.1146/annurev.pa.30.040190.003221
BindingDB Entry DOI: 10.7270/Q21Z42WK
More data for this
Ligand-Target Pair