BDBM82213 CAS_41598-07-6::NSC_114678::PGD2

SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O

InChI Key InChIKey=TUXFWOHFPFBNEJ-UHFFFAOYSA-N

Data  16 KI

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 82213   

TargetHematopoietic prostaglandin D synthase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi:  1.70nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProstaglandin F2-alpha receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi:  6.70nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProstaglandin D2 receptor(RAT)
Kyoto University

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi:  19nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetHematopoietic prostaglandin D synthase(MOUSE)
Kyoto University

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi:  21nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProstaglandin F2-alpha receptor(MOUSE)
Kyoto University

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi:  47nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProstaglandin E2 receptor EP3 subtype(Mus musculus (Mouse))
Kyoto University

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi:  280nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi:  421nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProstaglandin E2 receptor EP3 subtype(BOVINE)
Alcon Laboratories Inc

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi:  1.11E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi:  1.48E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProstaglandin E2 receptor EP3 subtype(BOVINE)
Alcon Laboratories Inc

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi:  1.58E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetProstaglandin F2-alpha receptor(BOVINE)
Alcon Laboratories Inc

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi:  2.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi:  2.97E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi:  5.82E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSolute carrier organic anion transporter family member 2A1(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi:  6.60E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProstacyclin receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetThromboxane A2 receptor(MOUSE)
University of Edinburgh

Curated by PDSP Ki Database
LigandPNGBDBM82213(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB