BDBM21611 2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,5'-dione]acetic acid::Spiro-indolinone analogue, (S)-90

SMILES: OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12

InChI Key: InChIKey=ABVCZPJCOYQLBK-HXUWFJFHSA-N

Data: 3 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 5 hits for monomerid = 21611   

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 D2 receptor 2 (Homo sapiens (Human))	BDBM21611 (2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...) Show SMILES OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...				J Med Chem 51: 2227-2243 (2008) Article DOI: 10.1021/jm701383e BindingDB Entry DOI: 10.7270/Q22R3PZS
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM21611 (2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...) Show SMILES OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay				ACS Med Chem Lett 2: 644-649 (2011) Article DOI: 10.1021/ml2001196 BindingDB Entry DOI: 10.7270/Q28916X5
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Mus musculus (mouse))	BDBM21611 (2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...) Show SMILES OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...				J Med Chem 51: 2227-2243 (2008) Article DOI: 10.1021/jm701383e BindingDB Entry DOI: 10.7270/Q22R3PZS
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM21611 (2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...) Show SMILES OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil chemotaxis				ACS Med Chem Lett 2: 644-649 (2011) Article DOI: 10.1021/ml2001196 BindingDB Entry DOI: 10.7270/Q28916X5
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM21611 (2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...) Show SMILES OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change pretreated for 20 mins meas...				ACS Med Chem Lett 2: 644-649 (2011) Article DOI: 10.1021/ml2001196 BindingDB Entry DOI: 10.7270/Q28916X5
					More data for this Ligand-Target Pair