BDBM50138045 CHEMBL3753268

SMILES: CC#CCC1(CCC1)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O

InChI Key: InChIKey=NTMLORZSAFILHZ-HMRWBYCRSA-N

Data: 1 KI  3 EC50

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 4 hits for monomerid = 50138045   

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
Prostaglandin E2 receptor EP1 subtype (EP1) (Homo sapiens (Human))	BDBM50138045 (CHEMBL3753268) Show SMILES CC#CCC1(CCC1)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r| Show InChI InChI=1S/C20H24N2O5S2/c1-2-3-7-20(8-4-9-20)16(23)6-5-14-12-27-19(26)22(14)10-11-28-18-21-15(13-29-18)17(24)25/h5-6,13-14,16,23H,4,7-12H2,1H3,(H,24,25)/b6-5+/t14-,16+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	89	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 Binding affinity to human EP1 receptor				Bioorg Med Chem Lett 26: 1016-9 (2016) BindingDB Entry DOI: 10.7270/Q2JS9S81
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM50138045 (CHEMBL3753268) Show SMILES CC#CCC1(CCC1)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r| Show InChI InChI=1S/C20H24N2O5S2/c1-2-3-7-20(8-4-9-20)16(23)6-5-14-12-27-19(26)22(14)10-11-28-18-21-15(13-29-18)17(24)25/h5-6,13-14,16,23H,4,7-12H2,1H3,(H,24,25)/b6-5+/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human EP3 receptor				Bioorg Med Chem Lett 26: 1016-9 (2016) BindingDB Entry DOI: 10.7270/Q2JS9S81
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM50138045 (CHEMBL3753268) Show SMILES CC#CCC1(CCC1)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r| Show InChI InChI=1S/C20H24N2O5S2/c1-2-3-7-20(8-4-9-20)16(23)6-5-14-12-27-19(26)22(14)10-11-28-18-21-15(13-29-18)17(24)25/h5-6,13-14,16,23H,4,7-12H2,1H3,(H,24,25)/b6-5+/t14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human EP2 receptor				Bioorg Med Chem Lett 26: 1016-9 (2016) BindingDB Entry DOI: 10.7270/Q2JS9S81
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50138045 (CHEMBL3753268) Show SMILES CC#CCC1(CCC1)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r| Show InChI InChI=1S/C20H24N2O5S2/c1-2-3-7-20(8-4-9-20)16(23)6-5-14-12-27-19(26)22(14)10-11-28-18-21-15(13-29-18)17(24)25/h5-6,13-14,16,23H,4,7-12H2,1H3,(H,24,25)/b6-5+/t14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human EP4 receptor				Bioorg Med Chem Lett 26: 1016-9 (2016) BindingDB Entry DOI: 10.7270/Q2JS9S81
					More data for this Ligand-Target Pair