BDBM50277632 (S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-8-yl)acetic acid::CHEMBL484778

SMILES: CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12

InChI Key: InChIKey=LUZBJNWFEDHIPR-LBPRGKRZSA-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 = 50277632   

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 (Homo sapiens (Human))	BDBM50277632 ((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...) Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r| Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50277632 ((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...) Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r| Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	233	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to CRTH2 receptor				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM50277632 ((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...) Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r| Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to EP3 receptor				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50277632 ((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...) Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r| Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50277632 ((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...) Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r| Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to EP4 receptor				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM50277632 ((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...) Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r| Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to EP2 receptor				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50277632 ((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...) Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r| Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to FP receptor				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostanoid IP receptor (Homo sapiens (Human))	BDBM50277632 ((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...) Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r| Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to IP receptor				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1) (Homo sapiens (Human))	BDBM50277632 ((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...) Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r| Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.85E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to EP1 receptor				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostanoid DP receptor (Homo sapiens (Human))	BDBM50277632 ((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...) Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r| Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at DP1 in washed human platelet assessed as inhibition of PGD2-induced [125I]cAMP production preincubated 10 mins before PGD2 cha...				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostanoid DP receptor (Homo sapiens (Human))	BDBM50277632 ((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...) Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r| Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at DP1 in human platelet-rich plasma assessed as inhibition of PGD2-induced [125I]cAMP production preincubated 10 mins before PGD...				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair