BDBM50351480 CHEMBL1819608

SMILES: CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12

InChI Key: InChIKey=ITVNLYSUGGIKNZ-NRFANRHFSA-N

Data: 9 KI  2 IC50

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 11 hits for monomerid = 50351480   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Prostanoid DP receptor (Mus musculus)	BDBM50351480 (CHEMBL1819608) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting				Bioorg Med Chem 19: 6935-48 (2011) Article DOI: 10.1016/j.bmc.2011.08.065 BindingDB Entry DOI: 10.7270/Q2K35V22
					More data for this Ligand-Target Pair
Prostanoid DP receptor (Mus musculus)	BDBM50351480 (CHEMBL1819608) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from mouse prostanoid DP receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostanoid IP receptor (Homo sapiens (Human))	BDBM50351480 (CHEMBL1819608) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostanoid IP receptor (Homo sapiens (Human))	BDBM50351480 (CHEMBL1819608) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting				Bioorg Med Chem 19: 6935-48 (2011) Article DOI: 10.1016/j.bmc.2011.08.065 BindingDB Entry DOI: 10.7270/Q2K35V22
					More data for this Ligand-Target Pair
Prostanoid EP4 Receptor (Mus musculus (Mouse))	BDBM50351480 (CHEMBL1819608) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from mouse prostaglandin EP4 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostanoid EP1 Receptor (Mus musculus (Mouse))	BDBM50351480 (CHEMBL1819608) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from mouse prostaglandin EP1 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
PTGFR (MOUSE)	BDBM50351480 (CHEMBL1819608) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGF2alpha from mouse prostanoid FP receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50351480 (CHEMBL1819608) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-SQ29548 from human prostanoid TP receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostanoid EP3 Receptor (Mus musculus (Mouse))	BDBM50351480 (CHEMBL1819608) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from mouse prostaglandin EP3alpha receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostanoid DP receptor (Mus musculus)	BDBM50351480 (CHEMBL1819608) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse prostanoid DP receptor expressed in CHO cells assessed as inhibition of PGD2-induced intracellular cAMP production after...				Bioorg Med Chem 19: 6935-48 (2011) Article DOI: 10.1016/j.bmc.2011.08.065 BindingDB Entry DOI: 10.7270/Q2K35V22
					More data for this Ligand-Target Pair
Prostanoid DP receptor (Mus musculus)	BDBM50351480 (CHEMBL1819608) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Antagonist activity at mouse prostanoid DP receptor expressed in CHO cells assessed as inhibition of PGD2-induced intracellular cAMP production				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair