Compile Data Set for Download or QSAR

Found 385 hits Enz. Inhib. hit(s) with all data for entry = 4393   

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
Apelin receptor (Homo sapiens (Human))	BDBM54799 (2-(2,3,4,5,6-pentafluorophenyl)-1-benzopyran-4-one...) Show SMILES Fc1c(F)c(F)c(c(F)c1F)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H5F5O2/c16-11-10(12(17)14(19)15(20)13(11)18)9-5-7(21)6-3-1-2-4-8(6)22-9/h1-5H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	694	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM19164 (3-phenyl-5H-indeno[1,2-c]pyridazin-5-one | Aza-het...) Show SMILES O=C1c2ccccc2-c2nnc(cc12)-c1ccccc1 Show InChI InChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)10-15(18-19-16)11-6-2-1-3-7-11/h1-10H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM66074 (4-methylbenzenecarbothioic acid S-(7-oxo-1-cyclohe...) Show SMILES Cc1ccc(cc1)C(=O)Sc1cccccc1=O Show InChI InChI=1S/C15H12O2S/c1-11-7-9-12(10-8-11)15(17)18-14-6-4-2-3-5-13(14)16/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM52656 (1-[5-acetyl-3-methyl-6-(3-nitrophenyl)-5H-[1,2,4]t...) Show SMILES CC(=O)[C-]1Sc2nn[c-](C)[n+]2[N+](C(C)=O)=C1c1cccc(c1)[N+]([O-])=O |c:15| Show InChI InChI=1S/C15H13N5O4S/c1-8(21)14-13(11-5-4-6-12(7-11)20(23)24)19(10(3)22)18-9(2)16-17-15(18)25-14/h4-7H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM58188 (1-benzyl-3-(tert-butyl)-N'-(4-methylphenyl)-1H...) Show SMILES Cc1ccc(NNC(=O)c2cc(nn2Cc2ccccc2)C(C)(C)C)cc1 Show InChI InChI=1S/C22H26N4O/c1-16-10-12-18(13-11-16)23-24-21(27)19-14-20(22(2,3)4)25-26(19)15-17-8-6-5-7-9-17/h5-14,23H,15H2,1-4H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67327 (1-(4-Chloro-phenyl)-2-(2,5-dimethyl-phenylamino)-e...) Show SMILES Cc1ccc(C)c(NCC(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C16H16ClNO/c1-11-3-4-12(2)15(9-11)18-10-16(19)13-5-7-14(17)8-6-13/h3-9,18H,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM21629 (3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one...) Show SMILES Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1 Show InChI InChI=1S/C18H12N2O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM40197 ((2Z)-2-[(8-quinolinylamino)methylidene]-1-benzothi...) Show SMILES Oc1c(C=Nc2cccc3cccnc23)sc2ccccc12 |w:4.4| Show InChI InChI=1S/C18H12N2OS/c21-18-13-7-1-2-9-15(13)22-16(18)11-20-14-8-3-5-12-6-4-10-19-17(12)14/h1-11,21H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM66072 (4-tert-butyl-N'-(1-pyridin-2-ylethylidene)benz...) Show SMILES CC(=NNC(=O)c1ccc(cc1)C(C)(C)C)c1ccccn1 |w:2.2| Show InChI InChI=1S/C18H21N3O/c1-13(16-7-5-6-12-19-16)20-21-17(22)14-8-10-15(11-9-14)18(2,3)4/h5-12H,1-4H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67195 (2-(3-Chloro-4-methyl-phenylamino)-1-phenyl-ethanon...) Show SMILES Cc1ccc(NCC(=O)c2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO/c1-11-7-8-13(9-14(11)16)17-10-15(18)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67344 (1-(4-chlorophenyl)-2-(2-methoxyanilino)ethanone | ...) Show SMILES COc1ccccc1NCC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H14ClNO2/c1-19-15-5-3-2-4-13(15)17-10-14(18)11-6-8-12(16)9-7-11/h2-9,17H,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67266 (4-chloranyl-1-ethyl-3-nitro-quinolin-2-one | 4-chl...) Show SMILES CCn1c2ccccc2c(Cl)c([N+]([O-])=O)c1=O Show InChI InChI=1S/C11H9ClN2O3/c1-2-13-8-6-4-3-5-7(8)9(12)10(11(13)15)14(16)17/h3-6H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67314 (1-(4-bromophenyl)-2-(3-chloroanilino)ethanone | 1-...) Show SMILES Clc1cccc(NCC(=O)c2ccc(Br)cc2)c1 Show InChI InChI=1S/C14H11BrClNO/c15-11-6-4-10(5-7-11)14(18)9-17-13-3-1-2-12(16)8-13/h1-8,17H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67388 (2-bromanyl-N'-(4,6-dimethylpyrimidin-2-yl)-4,6-bis...) Show SMILES Cc1cc(C)nc(NNS(=O)(=O)c2c(F)cc(F)cc2Br)n1 Show InChI InChI=1S/C12H11BrF2N4O2S/c1-6-3-7(2)17-12(16-6)18-19-22(20,21)11-9(13)4-8(14)5-10(11)15/h3-5,19H,1-2H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM60275 (4-Chloro-benzoic acid (1-pyridin-2-yl-ethylidene)-...) Show SMILES CC(=NNC(=O)c1ccc(Cl)cc1)c1ccccn1 |w:2.2| Show InChI InChI=1S/C14H12ClN3O/c1-10(13-4-2-3-9-16-13)17-18-14(19)11-5-7-12(15)8-6-11/h2-9H,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67349 ((3E)-5-bromo-3-[(4-methylphenyl)imino]-1,3-dihydro...) Show SMILES Cc1ccc(NC2=c3cc(Br)ccc3=NC2=O)cc1 |c:6,14| Show InChI InChI=1S/C15H11BrN2O/c1-9-2-5-11(6-3-9)17-14-12-8-10(16)4-7-13(12)18-15(14)19/h2-8H,1H3,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67337 (4-fluoranyl-N-(1-pyridin-2-ylethylideneamino)benza...) Show SMILES CC(=NNC(=O)c1ccc(F)cc1)c1ccccn1 |w:2.2| Show InChI InChI=1S/C14H12FN3O/c1-10(13-4-2-3-9-16-13)17-18-14(19)11-5-7-12(15)8-6-11/h2-9H,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM54814 (4-[(7-chloranyl-4-nitro-2,1,3-benzoxadiazol-5-yl)a...) Show SMILES Cc1c(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C Show InChI InChI=1S/C17H13ClN6O4/c1-9-13(17(25)23(22(9)2)10-6-4-3-5-7-10)19-12-8-11(18)14-15(21-28-20-14)16(12)24(26)27/h3-8,19H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM54371 (2-Hydroxy-benzoic acid [1-quinolin-8-yl-meth-(E)-y...) Show SMILES Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12 Show InChI InChI=1S/C17H13N3O2/c21-15-9-2-1-8-14(15)17(22)20-19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-11,21H,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM54838 (5-chloranyl-2-ethylsulfonyl-N-[4-[methyl(phenyl)su...) Show SMILES CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1 Show InChI InChI=1S/C20H19ClN4O5S2/c1-3-31(27,28)20-22-13-17(21)18(24-20)19(26)23-14-9-11-16(12-10-14)32(29,30)25(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50058655 (1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...) Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67364 (2-[[2-(2-furoylamino)acetyl]amino]acetic acid [2-(...) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C(=O)COC(=O)CNC(=O)CNC(=O)c1ccco1 Show InChI InChI=1S/C17H14ClN3O8/c18-11-4-3-10(6-12(11)21(26)27)13(22)9-29-16(24)8-19-15(23)7-20-17(25)14-2-1-5-28-14/h1-6H,7-9H2,(H,19,23)(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67256 (2-(4-fluoroanilino)-1-phenyl-ethanone;hydrobromide...) Show SMILES Fc1ccc(NCC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H12FNO/c15-12-6-8-13(9-7-12)16-10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM54825 (MLS000776291 | N-(4-chloranyl-3-ethyl-5-methanoyl-...) Show SMILES CCn1c(Cl)c(C=O)sc1=NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C12H11ClN2O3S2/c1-2-15-11(13)10(8-16)19-12(15)14-20(17,18)9-6-4-3-5-7-9/h3-8H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM54827 (Bis(helenalinyl) malonate | MLS000728515 | SMR0004...) Show SMILES C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CC(=O)O[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@H]4C=CC(=O)[C@@]24C)OC(=O)C3=C)[C@@]2(C)[C@H]1C=CC2=O |c:26,44| Show InChI InChI=1S/C33H36O10/c1-14-11-20-26(16(3)30(38)40-20)28(32(5)18(14)7-9-22(32)34)42-24(36)13-25(37)43-29-27-17(4)31(39)41-21(27)12-15(2)19-8-10-23(35)33(19,29)6/h7-10,14-15,18-21,26-29H,3-4,11-13H2,1-2,5-6H3/t14-,15-,18+,19+,20-,21-,26-,27-,28+,29+,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM52665 (1-(5-acetyl-3-methyl-6-phenyl-5H-[1,2,4]triazolo[3...) Show SMILES CC(=O)N1C(=C(Sc2nnc(C)n12)C(C)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C15H14N4O2S/c1-9(20)14-13(12-7-5-4-6-8-12)19(11(3)21)18-10(2)16-17-15(18)22-14/h4-8H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67184 (1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propano...) Show SMILES CC(C)CNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C Show InChI InChI=1S/C13H22BrN5OS/c1-8(2)7-15-13(21)17-16-11(20)5-6-19-10(4)12(14)9(3)18-19/h8H,5-7H2,1-4H3,(H,16,20)(H2,15,17,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67274 (6'-chloranyl-4'-(2-fluorophenyl)-4,4-dimethyl-7'-o...) Show SMILES CC1(C)CC2(CC(c3ccccc3F)c3cc(Cl)c(O)cc3O2)NC(=S)N1 Show InChI InChI=1S/C20H20ClFN2O2S/c1-19(2)10-20(24-18(27)23-19)9-13(11-5-3-4-6-15(11)22)12-7-14(21)16(25)8-17(12)26-20/h3-8,13,25H,9-10H2,1-2H3,(H2,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67166 ((2R,3R)-2-(3-bromanyl-4-methoxy-phenyl)-6-methoxy-...) Show SMILES COc1ccc2O[C@@H](C(=O)C(O)c2c1)c1ccc(OC)c(Br)c1 Show InChI InChI=1S/C17H15BrO5/c1-21-10-4-6-13-11(8-10)15(19)16(20)17(23-13)9-3-5-14(22-2)12(18)7-9/h3-8,15,17,19H,1-2H3/t15?,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67397 ((4R,4aS,6E,12bS)-3-(cyclopropylmethyl)-4a,9-bis(ox...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31| Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/t21-,25?,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM21618 (3-(4-methoxyphenyl)-5H-indeno[1,2-c]pyridazin-5-on...) Show SMILES COc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1 Show InChI InChI=1S/C18H12N2O2/c1-22-12-8-6-11(7-9-12)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67194 (2-(4-Bromo-phenylamino)-1-p-tolyl-ethanone | 2-(4-...) Show SMILES Cc1ccc(cc1)C(=O)CNc1ccc(Br)cc1 Show InChI InChI=1S/C15H14BrNO/c1-11-2-4-12(5-3-11)15(18)10-17-14-8-6-13(16)7-9-14/h2-9,17H,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67350 (2-[[2-(4-chlorophenyl)-2-keto-ethyl]amino]benzamid...) Show SMILES NC(=O)c1ccccc1NCC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H13ClN2O2/c16-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)15(17)20/h1-8,18H,9H2,(H2,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM59072 (5-chloranyl-2-ethylsulfonyl-N-[4-(3-methylpiperidi...) Show SMILES CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC(C)C1 Show InChI InChI=1S/C19H23ClN4O5S2/c1-3-30(26,27)19-21-11-16(20)17(23-19)18(25)22-14-6-8-15(9-7-14)31(28,29)24-10-4-5-13(2)12-24/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM33081 (2-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,...) Show SMILES CN(CCO)c1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O Show InChI InChI=1S/C16H13N5O4S2/c1-20(6-7-22)10-8-12(13-14(19-25-18-13)15(10)21(23)24)27-16-17-9-4-2-3-5-11(9)26-16/h2-5,8,22H,6-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67206 (2-(4-bromoanilino)-1-phenyl-ethanone | 2-(4-bromoa...) Show SMILES Brc1ccc(NCC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H12BrNO/c15-12-6-8-13(9-7-12)16-10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM60286 (3-bromanyl-N-(1-pyridin-2-ylethylideneamino)benzam...) Show SMILES CC(=NNC(=O)c1cccc(Br)c1)c1ccccn1 |w:2.2| Show InChI InChI=1S/C14H12BrN3O/c1-10(13-7-2-3-8-16-13)17-18-14(19)11-5-4-6-12(15)9-11/h2-9H,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67230 (MLS000585349 | N-[2-(4-chlorophenyl)-2-oxoethyl]-3...) Show SMILES CCC[N+](CCC)(CC#Cc1ccccc1)CC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H27ClNO/c1-3-16-25(17-4-2,18-8-11-20-9-6-5-7-10-20)19-23(26)21-12-14-22(24)15-13-21/h5-7,9-10,12-15H,3-4,16-19H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67328 (3-(4-Acetyl-phenylimino)-1,3-dihydro-indol-2-one |...) Show SMILES CC(=O)c1ccc(NC2=c3ccccc3=NC2=O)cc1 |c:8,15| Show InChI InChI=1S/C16H12N2O2/c1-10(19)11-6-8-12(9-7-11)17-15-13-4-2-3-5-14(13)18-16(15)20/h2-9H,1H3,(H,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67336 ((3E)-4-bromo-3-[(4-ethoxyphenyl)imino]-5-methyl-1,...) Show SMILES CCOc1ccc(NC2=c3c(Br)c(C)ccc3=NC2=O)cc1 |c:8,17| Show InChI InChI=1S/C17H15BrN2O2/c1-3-22-12-7-5-11(6-8-12)19-16-14-13(20-17(16)21)9-4-10(2)15(14)18/h4-9H,3H2,1-2H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67345 (1-(4-methylphenyl)-2-phenylazanyl-ethanone | 2-ani...) Show SMILES Cc1ccc(cc1)C(=O)CNc1ccccc1 Show InChI InChI=1S/C15H15NO/c1-12-7-9-13(10-8-12)15(17)11-16-14-5-3-2-4-6-14/h2-10,16H,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67191 (2-chloranyl-N'-(6-chloranylpyridin-2-yl)ethanehydr...) Show SMILES ClCC(=O)NNc1cccc(Cl)n1 Show InChI InChI=1S/C7H7Cl2N3O/c8-4-7(13)12-11-6-3-1-2-5(9)10-6/h1-3H,4H2,(H,10,11)(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM63210 (3-({7-[(4-methylphenyl)thio]-4-nitro-2,1,3-benzoxa...) Show SMILES CC(=O)OCCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+]([O-])=O Show InChI InChI=1S/C18H18N4O5S/c1-11-4-6-13(7-5-11)28-15-10-14(19-8-3-9-26-12(2)23)18(22(24)25)17-16(15)20-27-21-17/h4-7,10,19H,3,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67300 (MLS000860444 | N'-[4-(tert-butyl)phenyl]-4-met...) Show SMILES Cc1nnsc1C(=O)NNc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C14H18N4OS/c1-9-12(20-18-15-9)13(19)17-16-11-7-5-10(6-8-11)14(2,3)4/h5-8,16H,1-4H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67175 (5-[(2,5-dichlorophenyl)hydrazo]-3,3-bis(hydroxymet...) Show SMILES OCC1(CO)COC(=O)C(NNc2cc(Cl)ccc2Cl)=N1 |c:20| Show InChI InChI=1S/C12H13Cl2N3O4/c13-7-1-2-8(14)9(3-7)16-17-10-11(20)21-6-12(4-18,5-19)15-10/h1-3,16,18-19H,4-6H2,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM43465 ((Z)-2,3-bis(chloranyl)-3-[(4-chlorophenyl)methylsu...) Show SMILES COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(Cl)cc2)cn1 |w:11.11| Show InChI InChI=1S/C16H13Cl3N2O3S/c1-24-13-7-6-12(8-20-13)21-16(22)14(18)15(19)25(23)9-10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67299 ((7-Chloro-4-nitro-benzo[1,2,5]oxadiazol-5-yl)-pyri...) Show SMILES [O-][N+](=O)c1c(Nc2ccccn2)cc(Cl)c2nonc12 Show InChI InChI=1S/C11H6ClN5O3/c12-6-5-7(14-8-3-1-2-4-13-8)11(17(18)19)10-9(6)15-20-16-10/h1-5H,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM67354 (5-chloranyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-...) Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1 Show InChI InChI=1S/C19H17ClN4O5S2/c1-24(14-6-4-3-5-7-14)31(28,29)15-10-8-13(9-11-15)22-18(25)17-16(20)12-21-19(23-17)30(2,26)27/h3-12H,1-2H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM49381 ((3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-...) Show SMILES Cc1cccnc1Nc1nc(cs1)-c1ccccn1 Show InChI InChI=1S/C14H12N4S/c1-10-5-4-8-16-13(10)18-14-17-12(9-19-14)11-6-2-3-7-15-11/h2-9H,1H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM60241 (2-(4-chlorophenyl)-N'-(2-pyridinylmethylene)-4...) Show SMILES Clc1ccc(cc1)-c1cc(C(=O)NN=Cc2ccccn2)c2ccccc2n1 Show InChI InChI=1S/C22H15ClN4O/c23-16-10-8-15(9-11-16)21-13-19(18-6-1-2-7-20(18)26-21)22(28)27-25-14-17-5-3-4-12-24-17/h1-14H,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 385 total )  |  Next  |  Last  >>

Jump to: