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BDBM85605 GR 63799

SMILES: OC(COC1C(O)CC(=O)C1CC=CCCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1

InChI Key: InChIKey=KVSPDLWJCJFYEZ-UHFFFAOYSA-N

Data: 8 KI

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 8 hits for monomerid = 85605   
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
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM85605
PNG
(GR 63799)
Show SMILES OC(COC1C(O)CC(=O)C1CC=CCCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1
Show InChI InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1,3-9,11-14,17-20,26,29,31,33,36,38H,2,10,15-16,21-23H2,(H,35,40)
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PubMed
4.77n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (EP4)


(Homo sapiens (Human))
BDBM85605
PNG
(GR 63799)
Show SMILES OC(COC1C(O)CC(=O)C1CC=CCCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1
Show InChI InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1,3-9,11-14,17-20,26,29,31,33,36,38H,2,10,15-16,21-23H2,(H,35,40)
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149n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM85605
PNG
(GR 63799)
Show SMILES OC(COC1C(O)CC(=O)C1CC=CCCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1
Show InChI InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1,3-9,11-14,17-20,26,29,31,33,36,38H,2,10,15-16,21-23H2,(H,35,40)
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329n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Prostanoid FP receptor


(Homo sapiens (Human))
BDBM85605
PNG
(GR 63799)
Show SMILES OC(COC1C(O)CC(=O)C1CC=CCCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1
Show InChI InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1,3-9,11-14,17-20,26,29,31,33,36,38H,2,10,15-16,21-23H2,(H,35,40)
UniProtKB/SwissProt

antibodypedia
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PubMed
1.24E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (EP2)


(Homo sapiens (Human))
BDBM85605
PNG
(GR 63799)
Show SMILES OC(COC1C(O)CC(=O)C1CC=CCCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1
Show InChI InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1,3-9,11-14,17-20,26,29,31,33,36,38H,2,10,15-16,21-23H2,(H,35,40)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin Transporter


(HUMAN)
BDBM85605
PNG
(GR 63799)
Show SMILES OC(COC1C(O)CC(=O)C1CC=CCCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1
Show InChI InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1,3-9,11-14,17-20,26,29,31,33,36,38H,2,10,15-16,21-23H2,(H,35,40)
Reactome pathway
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (human))
BDBM85605
PNG
(GR 63799)
Show SMILES OC(COC1C(O)CC(=O)C1CC=CCCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1
Show InChI InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1,3-9,11-14,17-20,26,29,31,33,36,38H,2,10,15-16,21-23H2,(H,35,40)
NCI pathway
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM85605
PNG
(GR 63799)
Show SMILES OC(COC1C(O)CC(=O)C1CC=CCCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1
Show InChI InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1,3-9,11-14,17-20,26,29,31,33,36,38H,2,10,15-16,21-23H2,(H,35,40)
PDB
MMDB

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair