Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 9264   

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 E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453713 (2-(9-Ethyl-8-fluoro-6-methyl-9H-carbazol-3-yl)-1-(...) Show SMILES CCn1c2ccc(cc2c2cc(C)cc(F)c12)-c1nc2cc(ccc2n1CCOC)C(O)=O Show InChI InChI=1S/C26H24FN3O3/c1-4-29-22-7-5-16(13-18(22)19-11-15(2)12-20(27)24(19)29)25-28-21-14-17(26(31)32)6-8-23(21)30(25)9-10-33-3/h5-8,11-14H,4,9-10H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453711 (2-(9-Ethyl-8-fluoro-6-methyl-9H-carbazol-3-yl)-4-f...) Show SMILES CCn1c2ccc(cc2c2cc(C)cc(F)c12)-c1nc2c(F)c(ccc2n1CCOC)C(O)=O Show InChI InChI=1S/C26H23F2N3O3/c1-4-30-20-7-5-15(13-17(20)18-11-14(2)12-19(27)24(18)30)25-29-23-21(31(25)9-10-34-3)8-6-16(22(23)28)26(32)33/h5-8,11-13H,4,9-10H2,1-3H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453704 (2-(9-Ethyl-6-fluoro-8-methyl-9H-carbazol-3-yl)-1-(...) Show SMILES CCn1c2ccc(cc2c2cc(F)cc(C)c12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O Show InChI InChI=1S/C27H26FN3O3/c1-5-30-22-8-6-17(13-20(22)21-14-18(28)12-15(2)25(21)30)26-29-24-16(3)19(27(32)33)7-9-23(24)31(26)10-11-34-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453702 (2-(9-Ethyl-8-fluoro-6-methyl-9H-carbazol-3-yl)-1-(...) Show SMILES CCn1c2ccc(cc2c2cc(C)cc(F)c12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O Show InChI InChI=1S/C27H26FN3O3/c1-5-30-22-8-6-17(14-19(22)20-12-15(2)13-21(28)25(20)30)26-29-24-16(3)18(27(32)33)7-9-23(24)31(26)10-11-34-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453710 (2-(9-Ethyl-6-fluoro-8-methyl-9H-carbazol-3-yl)-4-f...) Show SMILES CCn1c2ccc(cc2c2cc(F)cc(C)c12)-c1nc2c(F)c(ccc2n1CCOC)C(O)=O Show InChI InChI=1S/C26H23F2N3O3/c1-4-30-20-7-5-15(12-18(20)19-13-16(27)11-14(2)24(19)30)25-29-23-21(31(25)9-10-34-3)8-6-17(22(23)28)26(32)33/h5-8,11-13H,4,9-10H2,1-3H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453715 (2-(8-Chloro-9-ethyl-6-methyl-9H-carbazol-3-yl)-1-(...) Show SMILES CCn1c2ccc(cc2c2cc(C)cc(Cl)c12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O Show InChI InChI=1S/C27H26ClN3O3/c1-5-30-22-8-6-17(14-19(22)20-12-15(2)13-21(28)25(20)30)26-29-24-16(3)18(27(32)33)7-9-23(24)31(26)10-11-34-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453700 (2-(6-Bromo-9-ethyl-9H-carbazol-3-yl)-1-(2-methoxye...) Show SMILES CCn1c2ccc(Br)cc2c2cc(ccc12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O Show InChI InChI=1S/C26H24BrN3O3/c1-4-29-21-8-5-16(13-19(21)20-14-17(27)6-9-22(20)29)25-28-24-15(2)18(26(31)32)7-10-23(24)30(25)11-12-33-3/h5-10,13-14H,4,11-12H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453718 (2-(5-Chloro-9-ethyl-6-methyl-9H-carbazol-3-yl)-1-(...) Show SMILES CCn1c2ccc(cc2c2c(Cl)c(C)ccc12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O Show InChI InChI=1S/C27H26ClN3O3/c1-5-30-20-10-7-17(14-19(20)23-21(30)9-6-15(2)24(23)28)26-29-25-16(3)18(27(32)33)8-11-22(25)31(26)12-13-34-4/h6-11,14H,5,12-13H2,1-4H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453699 (Methyl 2-(6-bromo-9-ethyl-9H-carbazol-3-yl)-1-(2-m...) Show SMILES CCn1c2ccc(Br)cc2c2cc(ccc12)-c1nc2c(C)c(ccc2n1CCOC)C(=O)OC Show InChI InChI=1S/C27H26BrN3O3/c1-5-30-22-9-6-17(14-20(22)21-15-18(28)7-10-23(21)30)26-29-25-16(2)19(27(32)34-4)8-11-24(25)31(26)12-13-33-3/h6-11,14-15H,5,12-13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453701 (Methyl 2-(9-ethyl-8-fluoro-6-methyl-9H-carbazol-3-...) Show SMILES CCn1c2ccc(cc2c2cc(C)cc(F)c12)-c1nc2c(C)c(ccc2n1CCOC)C(=O)OC Show InChI InChI=1S/C28H28FN3O3/c1-6-31-23-9-7-18(15-20(23)21-13-16(2)14-22(29)26(21)31)27-30-25-17(3)19(28(33)35-5)8-10-24(25)32(27)11-12-34-4/h7-10,13-15H,6,11-12H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453714 (Methyl 2-(8-chloro-9-ethyl-6-methyl-9H-carbazol-3-...) Show SMILES CCn1c2ccc(cc2c2cc(C)cc(Cl)c12)-c1nc2c(C)c(ccc2n1CCOC)C(=O)OC Show InChI InChI=1S/C28H28ClN3O3/c1-6-31-23-9-7-18(15-20(23)21-13-16(2)14-22(29)26(21)31)27-30-25-17(3)19(28(33)35-5)8-10-24(25)32(27)11-12-34-4/h7-10,13-15H,6,11-12H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453712 (Ethyl 2-(9-ethyl-8-fluoro-6-methyl-9H-carbazol-3-y...) Show SMILES CCOC(=O)c1ccc2n(CCOC)c(nc2c1)-c1ccc2n(CC)c3c(F)cc(C)cc3c2c1 Show InChI InChI=1S/C28H28FN3O3/c1-5-31-24-9-7-18(15-20(24)21-13-17(3)14-22(29)26(21)31)27-30-23-16-19(28(33)35-6-2)8-10-25(23)32(27)11-12-34-4/h7-10,13-16H,5-6,11-12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair