Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 2522   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM21599 (2-{5-chloro-1'-[(3-methyl-5-phenyl-1,2-oxazol-4-yl...) Show SMILES Cc1noc(c1CN1CC2(CC1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1 Show InChI InChI=1S/C24H20ClN3O5/c1-14-17(22(33-26-14)15-5-3-2-4-6-15)11-27-13-24(10-20(27)29)18-9-16(25)7-8-19(18)28(23(24)32)12-21(30)31/h2-9H,10-13H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	19	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))	BDBM21595 (2-{5-chloro-1'-[(3-methyl-5-phenyl-1,2-oxazol-4-yl...) Show SMILES Cc1noc(c1CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1 Show InChI InChI=1S/C24H18ClN3O6/c1-13-16(21(34-26-13)14-5-3-2-4-6-14)11-28-19(29)10-24(23(28)33)17-9-15(25)7-8-18(17)27(22(24)32)12-20(30)31/h2-9H,10-12H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.30	n/a	n/a	n/a	23	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))	BDBM21610 (2-[(3R)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...) Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	66	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))	BDBM21594 (2-{5-chloro-1'-[(5-methyl-3-phenyl-1,2-oxazol-4-yl...) Show SMILES Cc1onc(c1CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1 Show InChI InChI=1S/C24H18ClN3O6/c1-13-16(21(26-34-13)14-5-3-2-4-6-14)11-28-19(29)10-24(23(28)33)17-9-15(25)7-8-18(17)27(22(24)32)12-20(30)31/h2-9H,10-12H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7.60	n/a	n/a	n/a	21	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))	BDBM21579 (2-{5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-1...) Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	48	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))	BDBM21605 (2-[(3R)-5-chloro-1'-[(3-chlorophenyl)methyl]-1,2-d...) Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C20H14Cl2N2O5/c21-12-3-1-2-11(6-12)9-24-16(25)8-20(19(24)29)14-7-13(22)4-5-15(14)23(18(20)28)10-17(26)27/h1-7H,8-10H2,(H,26,27)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	107	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))	BDBM21585 (2-(5-chloro-1'-{[2-(3-chlorophenyl)-1,3-thiazol-4-...) Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3csc(n3)-c3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C23H15Cl2N3O5S/c24-13-3-1-2-12(6-13)20-26-15(11-34-20)9-28-18(29)8-23(22(28)33)16-7-14(25)4-5-17(16)27(21(23)32)10-19(30)31/h1-7,11H,8-10H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	48	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))	BDBM21574 (2-{5-chloro-1'-[(2,3-difluorophenyl)methyl]-1,2-di...) Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cccc(F)c3F)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C20H13ClF2N2O5/c21-11-4-5-14-12(6-11)20(18(29)24(14)9-16(27)28)7-15(26)25(19(20)30)8-10-2-1-3-13(22)17(10)23/h1-6H,7-9H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	296	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))	BDBM21580 (2-{5-chloro-1'-[(3,5-dichlorophenyl)methyl]-1,2-di...) Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(Cl)cc(Cl)c3)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C20H13Cl3N2O5/c21-11-1-2-15-14(6-11)20(18(29)24(15)9-17(27)28)7-16(26)25(19(20)30)8-10-3-12(22)5-13(23)4-10/h1-6H,7-9H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	82	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))	BDBM21584 (2-{5-chloro-1'-[(2-methyl-1,3-thiazol-4-yl)methyl]...) Show SMILES Cc1nc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)cs1 Show InChI InChI=1S/C18H14ClN3O5S/c1-9-20-11(8-28-9)6-22-14(23)5-18(17(22)27)12-4-10(19)2-3-13(12)21(16(18)26)7-15(24)25/h2-4,8H,5-7H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	236	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))	BDBM21593 (2-{5-chloro-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)meth...) Show SMILES Cc1noc(C)c1CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21 Show InChI InChI=1S/C19H16ClN3O6/c1-9-12(10(2)29-21-9)7-23-15(24)6-19(18(23)28)13-5-11(20)3-4-14(13)22(17(19)27)8-16(25)26/h3-5H,6-8H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	51	n/a	n/a	n/a	220	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))	BDBM21569 (2-{5-chloro-1'-[(4-chlorophenyl)methyl]-1,2-dihydr...) Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C20H14Cl2N2O5/c21-12-3-1-11(2-4-12)9-24-16(25)8-20(19(24)29)14-7-13(22)5-6-15(14)23(18(20)28)10-17(26)27/h1-7H,8-10H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	115	-39.2	n/a	n/a	n/a	n/a	n/a	7.4	22
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 (Mus musculus (mouse))	BDBM21543 (2-{1'-benzyl-5-chloro-1,2-dihydrospiro[indole-3,3'...) Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C20H15ClN2O5/c21-13-6-7-15-14(8-13)20(18(27)22(15)11-17(25)26)9-16(24)23(19(20)28)10-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	150	-38.6	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21563 (2-[5-chloro-1'-(2-phenylethyl)-1,2-dihydrospiro[in...) Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(CCc3ccccc3)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C21H17ClN2O5/c22-14-6-7-16-15(10-14)21(20(29)24(16)12-18(26)27)11-17(25)23(19(21)28)9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	267	-37.1	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21565 (2-[5-chloro-1'-(1-phenylethyl)-1,2-dihydrospiro[in...) Show SMILES CC(N1C(=O)CC2(C(=O)N(CC(O)=O)c3ccc(Cl)cc23)C1=O)c1ccccc1 Show InChI InChI=1S/C21H17ClN2O5/c1-12(13-5-3-2-4-6-13)24-17(25)10-21(20(24)29)15-9-14(22)7-8-16(15)23(19(21)28)11-18(26)27/h2-9,12H,10-11H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	356	-36.4	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21545 (2-{1'-benzyl-5-fluoro-1,2-dihydrospiro[indole-3,3'...) Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(F)ccc12 Show InChI InChI=1S/C20H15FN2O5/c21-13-6-7-15-14(8-13)20(18(27)22(15)11-17(25)26)9-16(24)23(19(20)28)10-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	712	-34.7	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21564 (2-{5-chloro-1'-[(2E)-3-phenylprop-2-en-1-yl]-1,2-d...) Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(C\C=C\c3ccccc3)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H17ClN2O5/c23-15-8-9-17-16(11-15)22(21(30)25(17)13-19(27)28)12-18(26)24(20(22)29)10-4-7-14-5-2-1-3-6-14/h1-9,11H,10,12-13H2,(H,27,28)/b7-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	747	-34.6	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21550 (4-[5-chloro-1'-(prop-2-en-1-yl)-1,2-dihydrospiro[i...) Show SMILES OC(=O)CCCN1C(=O)C2(CC(=O)N(CC=C)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C18H17ClN2O5/c1-2-7-21-14(22)10-18(17(21)26)12-9-11(19)5-6-13(12)20(16(18)25)8-3-4-15(23)24/h2,5-6,9H,1,3-4,7-8,10H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	769	-34.5	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21560 (4-{5-chloro-1'-[(4-methoxyphenyl)methyl]-1,2-dihyd...) Show SMILES COc1ccc(CN2C(=O)CC3(C(=O)N(CCCC(O)=O)c4ccc(Cl)cc34)C2=O)cc1 Show InChI InChI=1S/C23H21ClN2O6/c1-32-16-7-4-14(5-8-16)13-26-19(27)12-23(22(26)31)17-11-15(24)6-9-18(17)25(21(23)30)10-2-3-20(28)29/h4-9,11H,2-3,10,12-13H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	960	-34.0	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21553 (2-[5-chloro-1'-(2-methoxyethyl)-1,2-dihydrospiro[i...) Show SMILES COCCN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21 Show InChI InChI=1S/C16H15ClN2O6/c1-25-5-4-18-12(20)7-16(14(18)23)10-6-9(17)2-3-11(10)19(15(16)24)8-13(21)22/h2-3,6H,4-5,7-8H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.45E+3	-33.0	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21554 (4-{1'-benzyl-5-chloro-1,2-dihydrospiro[indole-3,3'...) Show SMILES OC(=O)CCCN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H19ClN2O5/c23-15-8-9-17-16(11-15)22(20(29)24(17)10-4-7-19(27)28)12-18(26)25(21(22)30)13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.66E+3	-32.7	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21546 (2-{1'-benzyl-5-methoxy-1,2-dihydrospiro[indole-3,3...) Show SMILES COc1ccc2N(CC(O)=O)C(=O)C3(CC(=O)N(Cc4ccccc4)C3=O)c2c1 Show InChI InChI=1S/C21H18N2O6/c1-29-14-7-8-16-15(9-14)21(19(27)22(16)12-18(25)26)10-17(24)23(20(21)28)11-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.74E+3	-31.4	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21549 (2-{5-fluoro-1'-[(2-methoxyethoxy)methyl]-1,2-dihyd...) Show SMILES COCCOCN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(F)cc21 Show InChI InChI=1S/C17H17FN2O7/c1-26-4-5-27-9-20-13(21)7-17(16(20)25)11-6-10(18)2-3-12(11)19(15(17)24)8-14(22)23/h2-3,6H,4-5,7-9H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.83E+3	-30.6	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21556 (4-[5-fluoro-1'-(prop-2-en-1-yl)-1,2-dihydrospiro[i...) Show SMILES OC(=O)CCCN1C(=O)C2(CC(=O)N(CC=C)C2=O)c2cc(F)ccc12 Show InChI InChI=1S/C18H17FN2O5/c1-2-7-21-14(22)10-18(17(21)26)12-9-11(19)5-6-13(12)20(16(18)25)8-3-4-15(23)24/h2,5-6,9H,1,3-4,7-8,10H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.13E+3	-30.4	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21557 (4-{1'-benzyl-5-fluoro-1,2-dihydrospiro[indole-3,3'...) Show SMILES OC(=O)CCCN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(F)ccc12 Show InChI InChI=1S/C22H19FN2O5/c23-15-8-9-17-16(11-15)22(20(29)24(17)10-4-7-19(27)28)12-18(26)25(21(22)30)13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.17E+3	-30.4	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21548 (2-{5-chloro-1'-[(dimethylcarbamoyl)methyl]-1,2-dih...) Show SMILES CN(C)C(=O)CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21 Show InChI InChI=1S/C17H16ClN3O6/c1-19(2)13(23)7-21-12(22)6-17(16(21)27)10-5-9(18)3-4-11(10)20(15(17)26)8-14(24)25/h3-5H,6-8H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.67E+3	-30.1	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21552 (2-{5-chloro-1'-methyl-1,2-dihydrospiro[indole-3,3'...) Show SMILES CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21 Show InChI InChI=1S/C14H11ClN2O5/c1-16-10(18)5-14(12(16)21)8-4-7(15)2-3-9(8)17(13(14)22)6-11(19)20/h2-4H,5-6H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.62E+3	-28.9	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21555 (4-{5-fluoro-1'-methyl-1,2-dihydrospiro[indole-3,3'...) Show SMILES CN1C(=O)CC2(C1=O)C(=O)N(CCCC(O)=O)c1ccc(F)cc21 Show InChI InChI=1S/C16H15FN2O5/c1-18-12(20)8-16(14(18)23)10-7-9(17)4-5-11(10)19(15(16)24)6-2-3-13(21)22/h4-5,7H,2-3,6,8H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.90E+3	-28.5	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21551 (1'-benzyl-5-chloro-1-methyl-1,2-dihydrospiro[indol...) Show SMILES CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C19H15ClN2O3/c1-21-15-8-7-13(20)9-14(15)19(17(21)24)10-16(23)22(18(19)25)11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.16E+4	-27.9	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21547 (2-{1'-[(dimethylcarbamoyl)methyl]-5-fluoro-1,2-dih...) Show SMILES CN(C)C(=O)CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(F)cc21 Show InChI InChI=1S/C17H16FN3O6/c1-19(2)13(23)7-21-12(22)6-17(16(21)27)10-5-9(18)3-4-11(10)20(15(17)26)8-14(24)25/h3-5H,6-8H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	>-25.6	n/a	n/a	n/a	n/a	n/a	7.4	22
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))	BDBM21558 (Spiro-indolinone analogue, 51 | ethyl 2-{1'-benzyl...) Show SMILES CCOC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H19ClN2O5/c1-2-30-19(27)13-24-17-9-8-15(23)10-16(17)22(20(24)28)11-18(26)25(21(22)29)12-14-6-4-3-5-7-14/h3-10H,2,11-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	>-25.6	n/a	n/a	n/a	n/a	n/a	7.4	22
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