Compile Data Set for Download or QSAR

Found 198 hits with Last Name = 'schneider' and Initial = 'p'   

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
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254456 (CHEMBL447392 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H43ClN4O5S/c1-25(2)24-43-31-14-11-27(19-32(31)42-4)22-38(23-33(39)35-20-28-7-5-6-8-30(28)34)44(40,41)29-12-9-26(10-13-29)21-37-17-15-36(3)16-18-37/h5-14,19,25H,15-18,20-24H2,1-4H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50369348 (CHEMBL606286) Show SMILES NC(=O)c1c[se]c(n1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2Se/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards IMP(Inosine 5'-monophosphate) substrate of Inosine-5'-monophosphate dehydrogenase 2				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254457 (CHEMBL443207 | N-(2-chlorobenzyl)-2-(N-(3-chloro-4...) Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cl Show InChI InChI=1S/C32H40Cl2N4O4S/c1-24(2)23-42-31-13-10-26(18-30(31)34)21-38(22-32(39)35-19-27-6-4-5-7-29(27)33)43(40,41)28-11-8-25(9-12-28)20-37-16-14-36(3)15-17-37/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50369348 (CHEMBL606286) Show SMILES NC(=O)c1c[se]c(n1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2Se/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards NMD (Nicotinamide adenine dinucleotide) substrate of Inosine-5'-monophosphate dehydrogenase 2				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50369348 (CHEMBL606286) Show SMILES NC(=O)c1c[se]c(n1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2Se/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards IMP(Inosine 5'-monophosphate) substrate of Inosine-5'-monophosphate dehydrogenase 1				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254458 (CHEMBL452238 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCCCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H42ClN3O5S/c1-25(2)24-42-31-16-13-27(19-32(31)41-3)22-37(23-33(38)35-20-28-9-5-6-10-30(28)34)43(39,40)29-14-11-26(12-15-29)21-36-17-7-4-8-18-36/h5-6,9-16,19,25H,4,7-8,17-18,20-24H2,1-3H3,(H,35,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254456 (CHEMBL447392 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H43ClN4O5S/c1-25(2)24-43-31-14-11-27(19-32(31)42-4)22-38(23-33(39)35-20-28-7-5-6-8-30(28)34)44(40,41)29-12-9-26(10-13-29)21-37-17-15-36(3)16-18-37/h5-14,19,25H,15-18,20-24H2,1-4H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50369348 (CHEMBL606286) Show SMILES NC(=O)c1c[se]c(n1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2Se/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards NMD (Nicotinamide adenine dinucleotide) substrate of Inosine-5'-monophosphate dehydrogenase 1				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50176996 (CHEMBL3813969) Show SMILES O=C(Nc1ccc(Cn2cncn2)cc1)c1ccccc1NCc1ccncc1 Show InChI InChI=1S/C22H20N6O/c29-22(27-19-7-5-18(6-8-19)14-28-16-24-15-26-28)20-3-1-2-4-21(20)25-13-17-9-11-23-12-10-17/h1-12,15-16,25H,13-14H2,(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Federal Institute of Technology (ETH) Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				J Med Chem 59: 4077-86 (2016) Article DOI: 10.1021/acs.jmedchem.5b01849 BindingDB Entry DOI: 10.7270/Q2FN184P
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254459 (CHEMBL512111 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN(C)C)cc2)ccc1OCC(C)C Show InChI InChI=1S/C30H38ClN3O5S/c1-22(2)21-39-28-15-12-24(16-29(28)38-5)19-34(20-30(35)32-17-25-8-6-7-9-27(25)31)40(36,37)26-13-10-23(11-14-26)18-33(3)4/h6-16,22H,17-21H2,1-5H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254460 (CHEMBL499999 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 Show InChI InChI=1S/C32H41ClN4O4S/c1-25(2)24-41-29-12-8-27(9-13-29)22-37(23-32(38)34-20-28-6-4-5-7-31(28)33)42(39,40)30-14-10-26(11-15-30)21-36-18-16-35(3)17-19-36/h4-15,25H,16-24H2,1-3H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254461 (CHEMBL507546 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C32H40ClN3O6S/c1-24(2)23-42-30-13-10-26(18-31(30)40-3)21-36(22-32(37)34-19-27-6-4-5-7-29(27)33)43(38,39)28-11-8-25(9-12-28)20-35-14-16-41-17-15-35/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254457 (CHEMBL443207 | N-(2-chlorobenzyl)-2-(N-(3-chloro-4...) Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cl Show InChI InChI=1S/C32H40Cl2N4O4S/c1-24(2)23-42-31-13-10-26(18-30(31)34)21-38(22-32(39)35-19-27-6-4-5-7-29(27)33)43(40,41)28-11-8-25(9-12-28)20-37-16-14-36(3)15-17-37/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254462 (CHEMBL468492 | N-(2-methoxyphenethyl)-2-(N-(2-(ben...) Show SMILES COc1ccccc1CCNC(=O)CN(CCOc1ccc2OCOc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H26Cl2N2O7S/c1-34-22-5-3-2-4-18(22)10-11-29-26(31)16-30(38(32,33)25-9-6-19(27)14-21(25)28)12-13-35-20-7-8-23-24(15-20)37-17-36-23/h2-9,14-15H,10-13,16-17H2,1H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50369347 (CHEMBL605452) Show SMILES NC(=O)c1c[se]c(c1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H26N6O14P2Se/c21-17-11-19(24-5-23-17)26(6-25-11)20-15(30)13(28)9(39-20)3-37-42(34,35)40-41(32,33)36-2-8-12(27)14(29)16(38-8)10-1-7(4-43-10)18(22)31/h1,4-6,8-9,12-16,20,27-30H,2-3H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t8-,9-,12-,13-,14-,15-,16?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards NMD (Nicotinamide adenine dinucleotide) substrate of Inosine-5'-monophosphate dehydrogenase 1				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254458 (CHEMBL452238 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCCCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H42ClN3O5S/c1-25(2)24-42-31-16-13-27(19-32(31)41-3)22-37(23-33(38)35-20-28-9-5-6-10-30(28)34)43(39,40)29-14-11-26(12-15-29)21-36-17-7-4-8-18-36/h5-6,9-16,19,25H,4,7-8,17-18,20-24H2,1-3H3,(H,35,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50369347 (CHEMBL605452) Show SMILES NC(=O)c1c[se]c(c1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H26N6O14P2Se/c21-17-11-19(24-5-23-17)26(6-25-11)20-15(30)13(28)9(39-20)3-37-42(34,35)40-41(32,33)36-2-8-12(27)14(29)16(38-8)10-1-7(4-43-10)18(22)31/h1,4-6,8-9,12-16,20,27-30H,2-3H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t8-,9-,12-,13-,14-,15-,16?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards NMD (Nicotinamide adenine dinucleotide) substrate of Inosine-5'-monophosphate dehydrogenase 2				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50369349 (CHEMBL603997) Show SMILES NC(=O)c1csc(c1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H26N6O14P2S/c21-17-11-19(24-5-23-17)26(6-25-11)20-15(30)13(28)9(39-20)3-37-42(34,35)40-41(32,33)36-2-8-12(27)14(29)16(38-8)10-1-7(4-43-10)18(22)31/h1,4-6,8-9,12-16,20,27-30H,2-3H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t8-,9-,12-,13-,14-,15-,16?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards IMP(Inosine 5'-monophosphate) substrate of Inosine-5'-monophosphate dehydrogenase 2				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50369349 (CHEMBL603997) Show SMILES NC(=O)c1csc(c1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H26N6O14P2S/c21-17-11-19(24-5-23-17)26(6-25-11)20-15(30)13(28)9(39-20)3-37-42(34,35)40-41(32,33)36-2-8-12(27)14(29)16(38-8)10-1-7(4-43-10)18(22)31/h1,4-6,8-9,12-16,20,27-30H,2-3H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t8-,9-,12-,13-,14-,15-,16?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards NMD (Nicotinamide adenine dinucleotide) substrate of Inosine-5'-monophosphate dehydrogenase 1				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50369349 (CHEMBL603997) Show SMILES NC(=O)c1csc(c1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H26N6O14P2S/c21-17-11-19(24-5-23-17)26(6-25-11)20-15(30)13(28)9(39-20)3-37-42(34,35)40-41(32,33)36-2-8-12(27)14(29)16(38-8)10-1-7(4-43-10)18(22)31/h1,4-6,8-9,12-16,20,27-30H,2-3H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t8-,9-,12-,13-,14-,15-,16?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards NMD (Nicotinamide adenine dinucleotide) substrate of Inosine-5'-monophosphate dehydrogenase 2				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50369349 (CHEMBL603997) Show SMILES NC(=O)c1csc(c1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H26N6O14P2S/c21-17-11-19(24-5-23-17)26(6-25-11)20-15(30)13(28)9(39-20)3-37-42(34,35)40-41(32,33)36-2-8-12(27)14(29)16(38-8)10-1-7(4-43-10)18(22)31/h1,4-6,8-9,12-16,20,27-30H,2-3H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t8-,9-,12-,13-,14-,15-,16?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards IMP(Inosine 5'-monophosphate) substrate of Inosine-5'-monophosphate dehydrogenase 1				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254463 (3-(2-(2,4-dichloro-N-(2-(2,3-dihydro-1H-inden-5-yl...) Show SMILES OC(=O)CCNC(=O)CN(CCOc1ccc2CCCc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H24Cl2N2O6S/c23-17-5-7-20(19(24)13-17)33(30,31)26(14-21(27)25-9-8-22(28)29)10-11-32-18-6-4-15-2-1-3-16(15)12-18/h4-7,12-13H,1-3,8-11,14H2,(H,25,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50421763 (CHEMBL2364562) Show SMILES NC(=O)c1csc(n1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8+,10-,11+,12-,13+,14-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards IMP(Inosine 5'-monophosphate) substrate of Inosine-5'-monophosphate dehydrogenase 2				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50421763 (CHEMBL2364562) Show SMILES NC(=O)c1csc(n1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8+,10-,11+,12-,13+,14-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards NMD (Nicotinamide adenine dinucleotide) substrate of Inosine-5'-monophosphate dehydrogenase 2				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254461 (CHEMBL507546 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C32H40ClN3O6S/c1-24(2)23-42-30-13-10-26(18-31(30)40-3)21-36(22-32(37)34-19-27-6-4-5-7-29(27)33)43(38,39)28-11-8-25(9-12-28)20-35-14-16-41-17-15-35/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	463	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50421763 (CHEMBL2364562) Show SMILES NC(=O)c1csc(n1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8+,10-,11+,12-,13+,14-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards NMD (Nicotinamide adenine dinucleotide) substrate of Inosine-5'-monophosphate dehydrogenase 1				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254459 (CHEMBL512111 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN(C)C)cc2)ccc1OCC(C)C Show InChI InChI=1S/C30H38ClN3O5S/c1-22(2)21-39-28-15-12-24(16-29(28)38-5)19-34(20-30(35)32-17-25-8-6-7-9-27(25)31)40(36,37)26-13-10-23(11-14-26)18-33(3)4/h6-16,22H,17-21H2,1-5H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	497	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50369347 (CHEMBL605452) Show SMILES NC(=O)c1c[se]c(c1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H26N6O14P2Se/c21-17-11-19(24-5-23-17)26(6-25-11)20-15(30)13(28)9(39-20)3-37-42(34,35)40-41(32,33)36-2-8-12(27)14(29)16(38-8)10-1-7(4-43-10)18(22)31/h1,4-6,8-9,12-16,20,27-30H,2-3H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t8-,9-,12-,13-,14-,15-,16?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards IMP(Inosine 5'-monophosphate) substrate of Inosine-5'-monophosphate dehydrogenase 1				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50421763 (CHEMBL2364562) Show SMILES NC(=O)c1csc(n1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8+,10-,11+,12-,13+,14-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards IMP(Inosine 5'-monophosphate) substrate of Inosine-5'-monophosphate dehydrogenase 1				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254508 (3-(2-(2,4-dichloro-N-(2-(3-chlorophenoxy)ethyl)phe...) Show SMILES OC(=O)CCNC(=O)CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl3N2O6S/c20-13-2-1-3-15(10-13)30-9-8-24(12-18(25)23-7-6-19(26)27)31(28,29)17-5-4-14(21)11-16(17)22/h1-5,10-11H,6-9,12H2,(H,23,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50369347 (CHEMBL605452) Show SMILES NC(=O)c1c[se]c(c1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H26N6O14P2Se/c21-17-11-19(24-5-23-17)26(6-25-11)20-15(30)13(28)9(39-20)3-37-42(34,35)40-41(32,33)36-2-8-12(27)14(29)16(38-8)10-1-7(4-43-10)18(22)31/h1,4-6,8-9,12-16,20,27-30H,2-3H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t8-,9-,12-,13-,14-,15-,16?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards IMP(Inosine 5'-monophosphate) substrate of Inosine-5'-monophosphate dehydrogenase 2				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254632 (2-(2,4-dichloro-N-(2-(2,3-dihydro-1H-inden-5-yloxy...) Show SMILES COCCCNC(=O)CN(CCOc1ccc2CCCc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H28Cl2N2O5S/c1-31-12-3-10-26-23(28)16-27(33(29,30)22-9-7-19(24)15-21(22)25)11-13-32-20-8-6-17-4-2-5-18(17)14-20/h6-9,14-15H,2-5,10-13,16H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254633 (3-(2-(N-(2-(benzo[d][1,3]dioxol-5-yloxy)ethyl)-2,4...) Show SMILES OC(=O)CCNC(=O)CN(CCOc1ccc2OCOc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H20Cl2N2O8S/c21-13-1-4-18(15(22)9-13)33(28,29)24(11-19(25)23-6-5-20(26)27)7-8-30-14-2-3-16-17(10-14)32-12-31-16/h1-4,9-10H,5-8,11-12H2,(H,23,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254634 (2-(2,4-dichloro-N-(2-(2,3-dihydro-1H-inden-5-yloxy...) Show SMILES CNC(=O)CN(CCOc1ccc2CCCc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H22Cl2N2O4S/c1-23-20(25)13-24(29(26,27)19-8-6-16(21)12-18(19)22)9-10-28-17-7-5-14-3-2-4-15(14)11-17/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50176996 (CHEMBL3813969) Show SMILES O=C(Nc1ccc(Cn2cncn2)cc1)c1ccccc1NCc1ccncc1 Show InChI InChI=1S/C22H20N6O/c29-22(27-19-7-5-18(6-8-19)14-28-16-24-15-26-28)20-3-1-2-4-21(20)25-13-17-9-11-23-12-10-17/h1-12,15-16,25H,13-14H2,(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Federal Institute of Technology (ETH) Curated by ChEMBL					Assay Description Inhibition of VEGFR1 (unknown origin)				J Med Chem 59: 4077-86 (2016) Article DOI: 10.1021/acs.jmedchem.5b01849 BindingDB Entry DOI: 10.7270/Q2FN184P
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254635 (3-(2-(2,4-dichloro-N-(2-phenoxyethyl)phenylsulfona...) Show SMILES OC(=O)CCNC(=O)CN(CCOc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H20Cl2N2O6S/c20-14-6-7-17(16(21)12-14)30(27,28)23(13-18(24)22-9-8-19(25)26)10-11-29-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50369350 (CHEMBL606280) Show SMILES NC(=O)c1coc(c1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H26N6O15P2/c21-17-11-19(24-5-23-17)26(6-25-11)20-15(30)13(28)10(40-20)4-38-43(34,35)41-42(32,33)37-3-9-12(27)14(29)16(39-9)8-1-7(2-36-8)18(22)31/h1-2,5-6,9-10,12-16,20,27-30H,3-4H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t9-,10-,12-,13-,14-,15-,16?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards IMP(Inosine 5'-monophosphate) substrate of Inosine-5'-monophosphate dehydrogenase 1				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50369350 (CHEMBL606280) Show SMILES NC(=O)c1coc(c1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H26N6O15P2/c21-17-11-19(24-5-23-17)26(6-25-11)20-15(30)13(28)10(40-20)4-38-43(34,35)41-42(32,33)37-3-9-12(27)14(29)16(39-9)8-1-7(2-36-8)18(22)31/h1-2,5-6,9-10,12-16,20,27-30H,3-4H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t9-,10-,12-,13-,14-,15-,16?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards IMP(Inosine 5'-monophosphate) substrate of Inosine-5'-monophosphate dehydrogenase 2				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
Monocarboxylate transporter 2 (Rattus norvegicus)	BDBM19473 (2-Oxopropanoate | 2-oxopropanoic acid | Pyruvate) Show SMILES CC(=O)C(O)=O Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes				Biochem J 341: 529-35 (1999) BindingDB Entry DOI: 10.7270/Q2125TQV
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50369350 (CHEMBL606280) Show SMILES NC(=O)c1coc(c1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H26N6O15P2/c21-17-11-19(24-5-23-17)26(6-25-11)20-15(30)13(28)10(40-20)4-38-43(34,35)41-42(32,33)37-3-9-12(27)14(29)16(39-9)8-1-7(2-36-8)18(22)31/h1-2,5-6,9-10,12-16,20,27-30H,3-4H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t9-,10-,12-,13-,14-,15-,16?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.91E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards NMD (Nicotinamide adenine dinucleotide) substrate of Inosine-5'-monophosphate dehydrogenase 2				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
Monocarboxylate transporter 2 (Rattus norvegicus)	BDBM50390988 (CHEMBL445647) Show SMILES CC(C)CC(=O)C(O)=O Show InChI InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem	PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes				Biochem J 341: 529-35 (1999) BindingDB Entry DOI: 10.7270/Q2125TQV
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50369350 (CHEMBL606280) Show SMILES NC(=O)c1coc(c1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H26N6O15P2/c21-17-11-19(24-5-23-17)26(6-25-11)20-15(30)13(28)10(40-20)4-38-43(34,35)41-42(32,33)37-3-9-12(27)14(29)16(39-9)8-1-7(2-36-8)18(22)31/h1-2,5-6,9-10,12-16,20,27-30H,3-4H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t9-,10-,12-,13-,14-,15-,16?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description The compound was tested for the inhibition towards NMD (Nicotinamide adenine dinucleotide) substrate of Inosine-5'-monophosphate dehydrogenase 1				J Med Chem 41: 1702-7 (1998) Article DOI: 10.1021/jm970772e BindingDB Entry DOI: 10.7270/Q23J3DNP
					More data for this Ligand-Target Pair
Monocarboxylate transporter 2 (Rattus norvegicus)	BDBM50390989 (CHEMBL146554) Show SMILES CC(C)C(=O)C(O)=O Show InChI InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem	PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes				Biochem J 341: 529-35 (1999) BindingDB Entry DOI: 10.7270/Q2125TQV
					More data for this Ligand-Target Pair
Monocarboxylate transporter 2 (Rattus norvegicus)	BDBM50390990 (CHEMBL2074691) Show SMILES CC(=O)CC([O-])=O Show InChI InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)/p-1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem	PubMed	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes				Biochem J 341: 529-35 (1999) BindingDB Entry DOI: 10.7270/Q2125TQV
					More data for this Ligand-Target Pair
Monocarboxylate transporter 2 (Rattus norvegicus)	BDBM50270275 (3-OH butyrate | 3-OH-butyrate | 3-hydroxybutanoate...) Show SMILES CC(O)CC([O-])=O Show InChI InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes				Biochem J 341: 529-35 (1999) BindingDB Entry DOI: 10.7270/Q2125TQV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM24773 (AMG 706 | AMG-706 | Motesanib | N-(3,3-dimethyl-1,...) Show SMILES CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12 Show InChI InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Federal Institute of Technology (ETH) Curated by ChEMBL					Assay Description Inhibition of VEGFR1 (unknown origin)				J Med Chem 59: 4077-86 (2016) Article DOI: 10.1021/acs.jmedchem.5b01849 BindingDB Entry DOI: 10.7270/Q2FN184P
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM24773 (AMG 706 | AMG-706 | Motesanib | N-(3,3-dimethyl-1,...) Show SMILES CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12 Show InChI InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Federal Institute of Technology (ETH) Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				J Med Chem 59: 4077-86 (2016) Article DOI: 10.1021/acs.jmedchem.5b01849 BindingDB Entry DOI: 10.7270/Q2FN184P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM13066 (2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...) Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe-Universität Curated by ChEMBL					Assay Description Inhibitory concentration against COX-2 upon incubation for 15 minutes at 37 degree C				J Med Chem 48: 6997-7004 (2005) Article DOI: 10.1021/jm050619h BindingDB Entry DOI: 10.7270/Q2N29WH3
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50368644 (CHEMBL1202793 | Sardomozide chloride) Show SMILES NC(=N)NN=C1CCc2c1cccc2C(N)=N |w:4.3| Show InChI InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory activity against S- adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 2168-71 (1993) BindingDB Entry DOI: 10.7270/Q24Q7VM5
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50046197 (4-{3-[(Z)-amino(imino)methyl]phenyl}pyrimidine-2-c...) Show SMILES NC(=N)c1cccc(c1)-c1ccnc(n1)C(N)=N Show InChI InChI=1S/C12H12N6/c13-10(14)8-3-1-2-7(6-8)9-4-5-17-12(18-9)11(15)16/h1-6H,(H3,13,14)(H3,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibitory concentration of compound against S-Adenosylmethionine decarboxylase (SAMDC) from rat liver				J Med Chem 36: 46-54 (1993) BindingDB Entry DOI: 10.7270/Q2FT8K3B
					More data for this Ligand-Target Pair

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