Compile Data Set for Download or QSAR

Found 84 hits of ic50 for UniProtKB: P46093   

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
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123511 (US8748435, 36) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@H](N)CC1 |r,wU:25.28,wD:28.32,(-6.74,4.11,;-7.83,3.02,;-7.43,1.53,;-8.33,.29,;-7.43,-.96,;-7.75,-2.47,;-9.24,-2.86,;-6.6,-3.5,;-5.14,-3.02,;-4.05,-4.11,;-4.82,-1.51,;-5.96,-.48,;-5.96,1.06,;-4.63,1.83,;-3.3,1.06,;-3.3,-.48,;-1.96,-1.25,;-.63,-.48,;-.63,1.06,;-1.96,1.83,;.71,-1.25,;.71,-2.79,;2.17,-3.27,;3.08,-2.02,;2.17,-.78,;4.62,-2.02,;5.39,-.69,;6.93,-.69,;7.7,-2.02,;9.24,-2.02,;6.93,-3.36,;5.39,-3.36,)| Show InChI InChI=1S/C25H30N6O/c1-4-22-21(23-27-15(2)13-16(3)31(23)30-22)14-17-5-7-18(8-6-17)24-28-29-25(32-24)19-9-11-20(26)12-10-19/h5-8,13,19-20H,4,9-12,14,26H2,1-3H3/t19-,20-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123488 (US8748435, 13) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(C)[C@@H](CN(C)C)C2)cc1 |r| Show InChI InChI=1S/C28H40N6/c1-7-27-26(28-29-21(2)17-22(3)34(28)30-27)18-24-12-10-23(11-13-24)9-8-14-33-16-15-32(6)25(20-33)19-31(4)5/h8-13,17,25H,7,14-16,18-20H2,1-6H3/b9-8+/t25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123489 (US8748435, 14) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCNCC2)cc1 Show InChI InChI=1S/C24H31N5/c1-4-23-22(24-26-18(2)16-19(3)29(24)27-23)17-21-9-7-20(8-10-21)6-5-13-28-14-11-25-12-15-28/h5-10,16,25H,4,11-15,17H2,1-3H3/b6-5+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123514 (US8748435, 39) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCN2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C27H39N5/c1-6-26-25(27-28-21(4)18-22(5)32(27)29-26)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h9-12,18,20H,6-8,13-17,19H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123513 (US8748435, 38) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)C1CCN(CC1)C(=O)[C@H](CO)NC |r| Show InChI InChI=1S/C28H35N7O3/c1-5-23-22(25-30-17(2)14-18(3)35(25)33-23)15-19-6-8-20(9-7-19)26-31-32-27(38-26)21-10-12-34(13-11-21)28(37)24(16-36)29-4/h6-9,14,21,24,29,36H,5,10-13,15-16H2,1-4H3/t24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123480 (US8748435, 5) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\C[C@]2(O)CCN[C@@H](C)C2)cc1 |r| Show InChI InChI=1S/C26H34N4O/c1-5-24-23(25-28-18(2)15-20(4)30(25)29-24)16-22-10-8-21(9-11-22)7-6-12-26(31)13-14-27-19(3)17-26/h6-11,15,19,27,31H,5,12-14,16-17H2,1-4H3/b7-6+/t19-,26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123497 (US8748435, 22) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCC2CCN(CC2)C(=O)[C@H]2NCC[C@H]2O)cc1 |r| Show InChI InChI=1S/C28H37N5O3/c1-4-24-23(27-30-18(2)15-19(3)33(27)31-24)16-20-5-7-22(8-6-20)36-17-21-10-13-32(14-11-21)28(35)26-25(34)9-12-29-26/h5-8,15,21,25-26,29,34H,4,9-14,16-17H2,1-3H3/t25-,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123484 (US8748435, 9) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN[C@@H](C)C2)cc1 |r| Show InChI InChI=1S/C25H33N5/c1-5-24-23(25-27-18(2)15-20(4)30(25)28-24)16-22-10-8-21(9-11-22)7-6-13-29-14-12-26-19(3)17-29/h6-11,15,19,26H,5,12-14,16-17H2,1-4H3/b7-6+/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123514 (US8748435, 39) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCN2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C27H39N5/c1-6-26-25(27-28-21(4)18-22(5)32(27)29-26)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h9-12,18,20H,6-8,13-17,19H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM50450950 (CHEMBL4217603) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(C[C@@H](O)CO)CC2)cc1 |r| Show InChI InChI=1S/C27H37N5O2/c1-4-26-25(27-28-20(2)16-21(3)32(27)29-26)17-23-9-7-22(8-10-23)6-5-11-30-12-14-31(15-13-30)18-24(34)19-33/h5-10,16,24,33-34H,4,11-15,17-19H2,1-3H3/b6-5+/t24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123504 (US8748435, 29) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-n1cc(CN2CC(N)C2)cn1 Show InChI InChI=1S/C24H29N7/c1-4-23-22(24-27-16(2)9-17(3)31(24)28-23)10-18-5-7-21(8-6-18)30-13-19(11-26-30)12-29-14-20(25)15-29/h5-9,11,13,20H,4,10,12,14-15,25H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123496 (US8748435, 21) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCC2CCNCC2)cc1 Show InChI InChI=1S/C23H30N4O/c1-4-22-21(23-25-16(2)13-17(3)27(23)26-22)14-18-5-7-20(8-6-18)28-15-19-9-11-24-12-10-19/h5-8,13,19,24H,4,9-12,14-15H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123481 (US8748435, 6) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CC2(O)CCN(C[C@@H](O)CO)CC2)cc1 |r| Show InChI InChI=1S/C28H38N4O3/c1-4-26-25(27-29-20(2)16-21(3)32(27)30-26)17-23-9-7-22(8-10-23)6-5-11-28(35)12-14-31(15-13-28)18-24(34)19-33/h5-10,16,24,33-35H,4,11-15,17-19H2,1-3H3/b6-5+/t24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM50450954 (CHEMBL4208267) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCC(O)C2CCNCC2)cc1 Show InChI InChI=1S/C25H34N4O/c1-4-23-22(25-27-17(2)15-18(3)29(25)28-23)16-20-7-5-19(6-8-20)9-10-24(30)21-11-13-26-14-12-21/h5-8,15,21,24,26,30H,4,9-14,16H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123505 (US8748435, 30) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-n1cc(CN2CCC(N)CC2)cn1 Show InChI InChI=1S/C26H33N7/c1-4-25-24(26-29-18(2)13-19(3)33(26)30-25)14-20-5-7-23(8-6-20)32-17-21(15-28-32)16-31-11-9-22(27)10-12-31/h5-8,13,15,17,22H,4,9-12,14,16,27H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM50450947 (CHEMBL4210921) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCNC(=O)C2)cc1 Show InChI InChI=1S/C24H29N5O/c1-4-22-21(24-26-17(2)14-18(3)29(24)27-22)15-20-9-7-19(8-10-20)6-5-12-28-13-11-25-23(30)16-28/h5-10,14H,4,11-13,15-16H2,1-3H3,(H,25,30)/b6-5+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123483 (US8748435, 8) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN[C@H](CO)C2)cc1 |r| Show InChI InChI=1S/C25H33N5O/c1-4-24-23(25-27-18(2)14-19(3)30(25)28-24)15-21-9-7-20(8-10-21)6-5-12-29-13-11-26-22(16-29)17-31/h5-10,14,22,26,31H,4,11-13,15-17H2,1-3H3/b6-5+/t22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123492 (US8748435, 17) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(C[C@@H](O)CO[Si](C)(C)C(C)(C)C)CC2)cc1 |r| Show InChI InChI=1S/C33H51N5O2Si/c1-9-31-30(32-34-25(2)21-26(3)38(32)35-31)22-28-14-12-27(13-15-28)11-10-16-36-17-19-37(20-18-36)23-29(39)24-40-41(7,8)33(4,5)6/h10-15,21,29,39H,9,16-20,22-24H2,1-8H3/b11-10+/t29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123485 (US8748435, 10) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN[C@H](COC)C2)cc1 |r| Show InChI InChI=1S/C26H35N5O/c1-5-25-24(26-28-19(2)15-20(3)31(26)29-25)16-22-10-8-21(9-11-22)7-6-13-30-14-12-27-23(17-30)18-32-4/h6-11,15,23,27H,5,12-14,16-18H2,1-4H3/b7-6+/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123487 (US8748435, 12) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCC(CC2)c2nnnn2C)cc1 Show InChI InChI=1S/C27H34N8/c1-5-25-24(27-28-19(2)17-20(3)35(27)30-25)18-22-10-8-21(9-11-22)7-6-14-34-15-12-23(13-16-34)26-29-31-32-33(26)4/h6-11,17,23H,5,12-16,18H2,1-4H3/b7-6+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123482 (US8748435, 7) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CC2(O)CCN(CC2)C(=O)CN(C)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C33H45N5O4/c1-8-28-27(30-34-23(2)20-24(3)38(30)35-28)21-26-13-11-25(12-14-26)10-9-15-33(41)16-18-37(19-17-33)29(39)22-36(7)31(40)42-32(4,5)6/h9-14,20,41H,8,15-19,21-22H2,1-7H3/b10-9+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123477 (US8748435, 2) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CC2(O)CN(C2)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C28H36N4O3/c1-7-24-23(25-29-19(2)15-20(3)32(25)30-24)16-22-12-10-21(11-13-22)9-8-14-28(34)17-31(18-28)26(33)35-27(4,5)6/h8-13,15,34H,7,14,16-18H2,1-6H3/b9-8+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123498 (US8748435, 23) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OC[C@@H]2CC[C@H](N)CC2)cc1 |r,wU:20.21,23.25,(-6.36,3.66,;-7.45,2.57,;-7.05,1.09,;-7.68,-.32,;-6.53,-1.35,;-6.53,-2.89,;-7.87,-3.66,;-5.2,-3.66,;-3.87,-2.89,;-2.53,-3.66,;-3.87,-1.35,;-5.2,-.58,;-5.52,.92,;-4.43,2.01,;-2.94,1.61,;-2.55,.13,;-1.06,-.27,;.03,.82,;1.52,.42,;1.92,-1.07,;3.4,-1.47,;3.8,-2.95,;5.29,-3.35,;6.38,-2.26,;7.87,-2.66,;5.98,-.78,;4.49,-.38,;-.37,2.31,;-1.85,2.7,)| Show InChI InChI=1S/C24H32N4O/c1-4-23-22(24-26-16(2)13-17(3)28(24)27-23)14-18-7-11-21(12-8-18)29-15-19-5-9-20(25)10-6-19/h7-8,11-13,19-20H,4-6,9-10,14-15,25H2,1-3H3/t19-,20+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123491 (US8748435, 16) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(CC2)C(=O)[C@H]2NCC[C@H]2O)cc1 |r| Show InChI InChI=1S/C29H38N6O2/c1-4-25-24(28-31-20(2)18-21(3)35(28)32-25)19-23-9-7-22(8-10-23)6-5-13-33-14-16-34(17-15-33)29(37)27-26(36)11-12-30-27/h5-10,18,26-27,30,36H,4,11-17,19H2,1-3H3/b6-5+/t26-,27+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123486 (US8748435, 11) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(CC2)C(=O)CN)cc1 Show InChI InChI=1S/C26H34N6O/c1-4-24-23(26-28-19(2)16-20(3)32(26)29-24)17-22-9-7-21(8-10-22)6-5-11-30-12-14-31(15-13-30)25(33)18-27/h5-10,16H,4,11-15,17-18,27H2,1-3H3/b6-5+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123508 (US8748435, 33) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-n1cc(CN2CCNCC2)nn1 Show InChI InChI=1S/C24H30N8/c1-4-23-22(24-26-17(2)13-18(3)32(24)28-23)14-19-5-7-21(8-6-19)31-16-20(27-29-31)15-30-11-9-25-10-12-30/h5-8,13,16,25H,4,9-12,14-15H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM50450953 (CHEMBL4209248) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C27H37N5/c1-6-26-25(27-28-21(4)18-22(5)32(27)29-26)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123506 (US8748435, 31) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-n1cc(CN2CCNCC2)cn1 Show InChI InChI=1S/C25H31N7/c1-4-24-23(25-28-18(2)13-19(3)32(25)29-24)14-20-5-7-22(8-6-20)31-17-21(15-27-31)16-30-11-9-26-10-12-30/h5-8,13,15,17,26H,4,9-12,14,16H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123501 (US8748435, 26) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCCN2CCN(CC2)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C28H39N5O3/c1-7-25-24(26-29-20(2)18-21(3)33(26)30-25)19-22-8-10-23(11-9-22)35-17-16-31-12-14-32(15-13-31)27(34)36-28(4,5)6/h8-11,18H,7,12-17,19H2,1-6H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123478 (US8748435, 3) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CC2(O)CCNCC2)cc1 Show InChI InChI=1S/C25H32N4O/c1-4-23-22(24-27-18(2)16-19(3)29(24)28-23)17-21-9-7-20(8-10-21)6-5-11-25(30)12-14-26-15-13-25/h5-10,16,26,30H,4,11-15,17H2,1-3H3/b6-5+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123476 (US8748435, 1) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\C2(O)CCN(CC2)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C29H38N4O3/c1-7-25-24(26-30-20(2)18-21(3)33(26)31-25)19-23-10-8-22(9-11-23)12-13-29(35)14-16-32(17-15-29)27(34)36-28(4,5)6/h8-13,18,35H,7,14-17,19H2,1-6H3/b13-12+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	45	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123479 (US8748435, 4) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCN(CC2)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C30H42N4O3/c1-7-26-25(27-31-21(2)19-22(3)34(27)32-26)20-24-12-10-23(11-13-24)9-8-14-30(36)15-17-33(18-16-30)28(35)37-29(4,5)6/h10-13,19,36H,7-9,14-18,20H2,1-6H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM50260329 (CHEMBL4098400) Show SMILES Cc1cc(nc(C)n1)N(Cc1ccc(cc1)-n1cc(CCN2CCC(O)CC2)nn1)CC(C)(C)C Show InChI InChI=1S/C27H39N7O/c1-20-16-26(29-21(2)28-20)33(19-27(3,4)5)17-22-6-8-24(9-7-22)34-18-23(30-31-34)10-13-32-14-11-25(35)12-15-32/h6-9,16,18,25,35H,10-15,17,19H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...				Bioorg Med Chem 25: 4512-4525 (2017) Article DOI: 10.1016/j.bmc.2017.06.050 BindingDB Entry DOI: 10.7270/Q2NS0XB3
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM50450951 (CHEMBL4213196) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCNCC2)cc1 Show InChI InChI=1S/C25H34N4O/c1-4-23-22(24-27-18(2)16-19(3)29(24)28-23)17-21-9-7-20(8-10-21)6-5-11-25(30)12-14-26-15-13-25/h7-10,16,26,30H,4-6,11-15,17H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123490 (US8748435, 15) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(CC2)C(=O)[C@H](CO)NC)cc1 |r| Show InChI InChI=1S/C28H38N6O2/c1-5-25-24(27-30-20(2)17-21(3)34(27)31-25)18-23-10-8-22(9-11-23)7-6-12-32-13-15-33(16-14-32)28(36)26(19-35)29-4/h6-11,17,26,29,35H,5,12-16,18-19H2,1-4H3/b7-6+/t26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	51	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM50450949 (CHEMBL4212656) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCC(=O)N2CCNCC2)cc1 Show InChI InChI=1S/C24H31N5O/c1-4-22-21(24-26-17(2)15-18(3)29(24)27-22)16-20-7-5-19(6-8-20)9-10-23(30)28-13-11-25-12-14-28/h5-8,15,25H,4,9-14,16H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123499 (US8748435, 24) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OC[C@H]2CC[C@H](CC2)NC(=O)[C@H]2NCC[C@H]2O)cc1 |r,wU:20.21,23.28,wD:29.31,33.37,(-8.55,4.84,;-9.64,3.75,;-9.24,2.26,;-9.87,.85,;-8.72,-.18,;-8.72,-1.72,;-10.06,-2.49,;-7.39,-2.49,;-6.06,-1.72,;-4.72,-2.49,;-6.06,-.18,;-7.39,.59,;-7.71,2.1,;-6.62,3.19,;-5.13,2.79,;-4.73,1.3,;-3.25,.9,;-2.16,1.99,;-.67,1.59,;-.27,.11,;1.22,-.29,;2.3,.8,;3.79,.4,;4.19,-1.09,;3.1,-2.18,;1.61,-1.78,;5.68,-1.49,;6.08,-2.97,;4.99,-4.06,;7.56,-3.37,;8.04,-4.84,;9.58,-4.84,;10.06,-3.37,;8.81,-2.47,;8.81,-.93,;-2.56,3.48,;-4.04,3.88,)| Show InChI InChI=1S/C29H39N5O3/c1-4-25-24(28-31-18(2)15-19(3)34(28)33-25)16-20-7-11-23(12-8-20)37-17-21-5-9-22(10-6-21)32-29(36)27-26(35)13-14-30-27/h7-8,11-12,15,21-22,26-27,30,35H,4-6,9-10,13-14,16-17H2,1-3H3,(H,32,36)/t21-,22+,26-,27+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123494 (US8748435, 19) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C29H39N5O3/c1-7-25-24(27-30-20(2)18-21(3)34(27)31-25)19-23-10-8-22(9-11-23)12-13-26(35)32-14-16-33(17-15-32)28(36)37-29(4,5)6/h8-11,18H,7,12-17,19H2,1-6H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123515 (US8748435, 40) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C27H37N5/c1-6-25-29-26-21(4)18-22(5)28-27(26)32(25)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123502 (US8748435, 27) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCCN2CCN[C@@H](COC)C2)cc1 |r| Show InChI InChI=1S/C25H35N5O2/c1-5-24-23(25-27-18(2)14-19(3)30(25)28-24)15-20-6-8-22(9-7-20)32-13-12-29-11-10-26-21(16-29)17-31-4/h6-9,14,21,26H,5,10-13,15-17H2,1-4H3/t21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	59	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM50450952 (CHEMBL4211343) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C28H40N4O/c1-6-26-25(27-29-21(4)18-22(5)32(27)30-26)19-24-11-9-23(10-12-24)8-7-13-28(33)14-16-31(17-15-28)20(2)3/h9-12,18,20,33H,6-8,13-17,19H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM50450950 (CHEMBL4217603) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(C[C@@H](O)CO)CC2)cc1 |r| Show InChI InChI=1S/C27H37N5O2/c1-4-26-25(27-28-20(2)16-21(3)32(27)29-26)17-23-9-7-22(8-10-23)6-5-11-30-12-14-31(15-13-30)18-24(34)19-33/h5-10,16,24,33-34H,4,11-15,17-19H2,1-3H3/b6-5+/t24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins in presence of...				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM50175290 (CHEMBL3810385) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2Nc3ccc(CN4CCCCC4)cc3CCc2c1 Show InChI InChI=1S/C31H37N5/c1-4-29-34-30-21(2)16-22(3)32-31(30)36(29)20-24-9-13-28-26(18-24)11-10-25-17-23(8-12-27(25)33-28)19-35-14-6-5-7-15-35/h8-9,12-13,16-18,33H,4-7,10-11,14-15,19-20H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	7.2	n/a
Hokkaido University Curated by ChEMBL					Assay Description Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...				ACS Med Chem Lett 7: 493-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00014 BindingDB Entry DOI: 10.7270/Q2833TZR
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123510 (US8748435, 35) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)C1CCNCC1 Show InChI InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins in presence of...				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123510 (US8748435, 35) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)C1CCNCC1 Show InChI InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM50450948 (CHEMBL4207309) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCNCC2=O)cc1 Show InChI InChI=1S/C24H29N5O/c1-4-22-21(24-26-17(2)14-18(3)29(24)27-22)15-20-9-7-19(8-10-20)6-5-12-28-13-11-25-16-23(28)30/h5-10,14,25H,4,11-13,15-16H2,1-3H3/b6-5+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123510 (US8748435, 35) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)C1CCNCC1 Show InChI InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	74	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM50450955 (CHEMBL4205308) Show SMILES CCc1nc2c(C)cc(C)nn2c1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C27H37N5/c1-6-25-26(32-27(28-25)21(4)18-22(5)29-32)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay				J Med Chem 60: 3672-3683 (2017) Article DOI: 10.1021/acs.jmedchem.6b01703 BindingDB Entry DOI: 10.7270/Q28P6349
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123509 (US8748435, 34) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-n1cc(CC2(O)CCN(CC2)C(=O)OC(C)(C)C)nn1 Show InChI InChI=1S/C30H39N7O3/c1-7-26-25(27-31-20(2)16-21(3)37(27)33-26)17-22-8-10-24(11-9-22)36-19-23(32-34-36)18-30(39)12-14-35(15-13-30)28(38)40-29(4,5)6/h8-11,16,19,39H,7,12-15,17-18H2,1-6H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	77	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123493 (US8748435, 18) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\C(=O)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C25H31N5O/c1-5-23-22(25-26-18(2)16-19(3)30(25)27-23)17-21-8-6-20(7-9-21)10-11-24(31)29-14-12-28(4)13-15-29/h6-11,16H,5,12-15,17H2,1-4H3/b11-10+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair

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