Compile Data Set for Download or QSAR

Found 66 hits of ic50 for UniProtKB: P84022   

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
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM34671 (1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...) Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40314 (3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C13H10ClN5O2/c1-18-12(20)9-11(16-13(18)21)19(2)17-10(15-9)7-3-5-8(14)6-4-7/h3-6H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40161 (8-bromo-2-(methoxymethyl)-3-methyl-4,5-dioxo-1-ben...) Show SMILES CCOC(=O)c1c(COC)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O Show InChI InChI=1S/C18H16BrNO5/c1-4-25-18(23)14-12(8-24-3)20(2)15-13(14)11-7-9(19)5-6-10(11)16(21)17(15)22/h5-7H,4,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	771	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM50206442 (2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one | CHEMB...) Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3)c2cc1O Show InChI InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	<1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41958 (5-hydroxy-1H-indole-2-carboxylic acid | 5-oxidanyl...) Show SMILES OC(=O)c1cc2cc(O)ccc2[nH]1 Show InChI InChI=1S/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40313 (3-phenyl-9,10-phenanthrenedione | 3-phenylphenanth...) Show SMILES O=C1C(=O)c2ccc(cc2-c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C20H12O2/c21-19-16-9-5-4-8-15(16)18-12-14(10-11-17(18)20(19)22)13-6-2-1-3-7-13/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40306 (5-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohe...) Show SMILES CC1(C)CC(=O)C(C(=O)C1)C1(O)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C12H14N2O6/c1-11(2)3-5(15)7(6(16)4-11)12(20)8(17)13-10(19)14-9(12)18/h7,20H,3-4H2,1-2H3,(H2,13,14,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41978 (6-[(4-methoxyphenyl)-(1-piperidinyl)methyl]-1,3-be...) Show SMILES COc1ccc(cc1)C(N1CCCCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C20H23NO4/c1-23-15-7-5-14(6-8-15)20(21-9-3-2-4-10-21)16-11-18-19(12-17(16)22)25-13-24-18/h5-8,11-12,20,22H,2-4,9-10,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	<2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41964 (6-[(2-methoxyphenyl)-(4-morpholinyl)methyl]-1,3-be...) Show SMILES COc1ccccc1C(N1CCOCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C19H21NO5/c1-22-16-5-3-2-4-13(16)19(20-6-8-23-9-7-20)14-10-17-18(11-15(14)21)25-12-24-17/h2-5,10-11,19,21H,6-9,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	<2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41969 (6-[(2-hydroxy-3-methoxy-phenyl)-pyrrolidino-methyl...) Show SMILES COc1cccc(C(N2CCCC2)c2cc3OCOc3cc2O)c1O Show InChI InChI=1S/C19H21NO5/c1-23-15-6-4-5-12(19(15)22)18(20-7-2-3-8-20)13-9-16-17(10-14(13)21)25-11-24-16/h4-6,9-10,18,21-22H,2-3,7-8,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	<2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM39886 (4b,9b-bis(oxidanyl)-7,8-dihydro-6H-indeno[1,2-b][1...) Show SMILES OC12OC3=C(C(=O)CCC3)C1(O)C(=O)c1ccccc21 |t:3| Show InChI InChI=1S/C15H12O5/c16-10-6-3-7-11-12(10)14(18)13(17)8-4-1-2-5-9(8)15(14,19)20-11/h1-2,4-5,18-19H,3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40319 (4-[(3,4-diketo-1-naphthyl)amino]benzoic acid ethyl...) Show SMILES CCOC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:10| Show InChI InChI=1S/C19H15NO4/c1-2-24-19(23)12-7-9-13(10-8-12)20-16-11-17(21)18(22)15-6-4-3-5-14(15)16/h3-11,20H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41962 (2-[(Z)-(3,4-dihydroxyphenyl)-(3-hydroxy-4-keto-cyc...) Show SMILES Oc1ccc(cc1O)C(=C1CC(=O)C(=O)C=C1)c1ccccc1S(O)(=O)=O |w:8.18,c:16| Show InChI InChI=1S/C19H14O7S/c20-14-7-5-11(9-16(14)22)19(12-6-8-15(21)17(23)10-12)13-3-1-2-4-18(13)27(24,25)26/h1-9,20,22H,10H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41968 (6-[4-morpholinyl-(2,3,4-trimethoxyphenyl)methyl]-1...) Show SMILES COc1ccc(C(N2CCOCC2)c2cc3OCOc3cc2O)c(OC)c1OC Show InChI InChI=1S/C21H25NO7/c1-24-16-5-4-13(20(25-2)21(16)26-3)19(22-6-8-27-9-7-22)14-10-17-18(11-15(14)23)29-12-28-17/h4-5,10-11,19,23H,6-9,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40309 (MLS000046765 | N-(3-azepan-1-ylpropyl)-5-{[(2-fluo...) Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1 Show InChI InChI=1S/C22H29FN2O4S/c23-20-9-4-3-8-18(20)16-30(27,28)17-19-10-11-21(29-19)22(26)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-11H,1-2,5-7,12-17H2,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM50143424 (2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid | ...) Show SMILES OC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(-6.39,-28.75,;-5.64,-30.09,;-6.42,-31.42,;-4.1,-30.1,;-4.09,-28.56,;-2.74,-27.79,;-1.41,-28.57,;-1.42,-30.11,;-2.76,-30.87,;-2.77,-32.41,;-1.43,-33.19,;-.1,-32.42,;1.23,-33.2,;1.22,-34.74,;2.54,-35.52,;-.12,-35.5,;-1.44,-34.73,;-2.78,-35.49,;-4.11,-34.72,;-5.43,-35.48,;-6.76,-34.72,;-8.09,-35.49,;-6.76,-33.18,;-5.43,-32.4,;-4.1,-33.18,)| Show InChI InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	4.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41967 (6-[(2,3-dimethoxyphenyl)-(4-morpholinyl)methyl]-1,...) Show SMILES COc1cccc(C(N2CCOCC2)c2cc3OCOc3cc2O)c1OC Show InChI InChI=1S/C20H23NO6/c1-23-16-5-3-4-13(20(16)24-2)19(21-6-8-25-9-7-21)14-10-17-18(11-15(14)22)27-12-26-17/h3-5,10-11,19,22H,6-9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41988 (6-[(4-methoxyphenyl)-(4-morpholinyl)methyl]-1,3-be...) Show SMILES COc1ccc(cc1)C(N1CCOCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C19H21NO5/c1-22-14-4-2-13(3-5-14)19(20-6-8-23-9-7-20)15-10-17-18(11-16(15)21)25-12-24-17/h2-5,10-11,19,21H,6-9,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41965 (6-[(2-hydroxyphenyl)-(4-morpholinyl)methyl]-1,3-be...) Show SMILES Oc1ccccc1C(N1CCOCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C18H19NO5/c20-14-4-2-1-3-12(14)18(19-5-7-22-8-6-19)13-9-16-17(10-15(13)21)24-11-23-16/h1-4,9-10,18,20-21H,5-8,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	6.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40310 (2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4...) Show SMILES CCN1CCCC1CNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C19H24ClN3O2S/c1-3-23-8-4-5-14(23)11-21-18(24)12-26-17-10-19(25)22(2)16-9-13(20)6-7-15(16)17/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40312 (2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[[(4-oxi...) Show SMILES CCCc1cc(=O)[nH]c(N=C(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)Nc2ccccc2)n1 |w:9.8| Show InChI InChI=1S/C25H24N6O4/c1-3-9-17-14-20(32)28-24(27-17)30-25(26-16-10-5-4-6-11-16)29-21(33)15(2)31-22(34)18-12-7-8-13-19(18)23(31)35/h4-8,10-15H,3,9H2,1-2H3,(H3,26,27,28,29,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	8.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM31691 (3-Methoxy-N-(9-phenylcarbamoylmethyl-9-aza-bicyclo...) Show SMILES [H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(OC)c1)N2CC(=O)Nc1ccccc1 Show InChI InChI=1S/C24H29N3O3/c1-30-22-12-5-7-17(13-22)24(29)26-19-14-20-10-6-11-21(15-19)27(20)16-23(28)25-18-8-3-2-4-9-18/h2-5,7-9,12-13,19-21H,6,10-11,14-16H2,1H3,(H,25,28)(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41982 (6-[4-morpholinyl-(3,4,5-trimethoxyphenyl)methyl]-1...) Show SMILES COc1cc(cc(OC)c1OC)C(N1CCOCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C21H25NO7/c1-24-18-8-13(9-19(25-2)21(18)26-3)20(22-4-6-27-7-5-22)14-10-16-17(11-15(14)23)29-12-28-16/h8-11,20,23H,4-7,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM50099737 (2-Amino-phenanthrene-9,10-dione | CHEMBL417727 | U...) Show SMILES Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21 Show InChI InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	9.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41981 (6-[(3-methoxy-4-oxidanyl-phenyl)-morpholin-4-yl-me...) Show SMILES COc1cc(ccc1O)C(N1CCOCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C19H21NO6/c1-23-16-8-12(2-3-14(16)21)19(20-4-6-24-7-5-20)13-9-17-18(10-15(13)22)26-11-25-17/h2-3,8-10,19,21-22H,4-7,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40308 (MLS000046465 | N-(3-azepan-1-ylpropyl)-5-oxo-1-(2-...) Show SMILES O=C(NCCCN1CCCCCC1)C1CN(CCc2ccccc2)C(=O)C1 Show InChI InChI=1S/C22H33N3O2/c26-21-17-20(18-25(21)16-11-19-9-4-3-5-10-19)22(27)23-12-8-15-24-13-6-1-2-7-14-24/h3-5,9-10,20H,1-2,6-8,11-18H2,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41977 (6-[(4-chlorophenyl)-(4-morpholinyl)methyl]-1,3-ben...) Show SMILES Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClNO4/c19-13-3-1-12(2-4-13)18(20-5-7-22-8-6-20)14-9-16-17(10-15(14)21)24-11-23-16/h1-4,9-10,18,21H,5-8,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40316 (8-bromo-2,3-dimethyl-4,5-dioxo-1-benzo[e]indolecar...) Show SMILES CCOC(=O)c1c(C)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O Show InChI InChI=1S/C17H14BrNO4/c1-4-23-17(22)12-8(2)19(3)14-13(12)11-7-9(18)5-6-10(11)15(20)16(14)21/h5-7H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40305 (2-[(6-amino-3,5-dicyano-4-p-phenetyl-2-pyridyl)thi...) Show SMILES CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N Show InChI InChI=1S/C21H22N4O3S/c1-3-5-10-28-18(26)13-29-21-17(12-23)19(16(11-22)20(24)25-21)14-6-8-15(9-7-14)27-4-2/h6-9H,3-5,10,13H2,1-2H3,(H2,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40307 (MLS000046472 | N-(3-azepan-1-ylpropyl)-1-[2-(4-met...) Show SMILES Cc1ccc(CCN2CC(CC2=O)C(=O)NCCCN2CCCCCC2)cc1 Show InChI InChI=1S/C23H35N3O2/c1-19-7-9-20(10-8-19)11-16-26-18-21(17-22(26)27)23(28)24-12-6-15-25-13-4-2-3-5-14-25/h7-10,21H,2-6,11-18H2,1H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41986 (6-[(3,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-1,...) Show SMILES COc1ccc(cc1OC)C(N1CCOCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C20H23NO6/c1-23-16-4-3-13(9-17(16)24-2)20(21-5-7-25-8-6-21)14-10-18-19(11-15(14)22)27-12-26-18/h3-4,9-11,20,22H,5-8,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41961 (4,5,6,7-tetrachloro-3',4',5',6'-tetrahydroxy-1-spi...) Show SMILES Oc1ccc2c(Oc3c(O)c(O)ccc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1O Show InChI InChI=1S/C20H8Cl4O7/c21-11-9-10(12(22)14(24)13(11)23)20(31-19(9)29)5-1-3-7(25)15(27)17(5)30-18-6(20)2-4-8(26)16(18)28/h1-4,25-28H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41985 (6-[1-piperidinyl-(3,4,5-trimethoxyphenyl)methyl]-1...) Show SMILES COc1cc(cc(OC)c1OC)C(N1CCCCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C22H27NO6/c1-25-19-9-14(10-20(26-2)22(19)27-3)21(23-7-5-4-6-8-23)15-11-17-18(12-16(15)24)29-13-28-17/h9-12,21,24H,4-8,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM31698 (3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...) Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1 Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41975 (6-[1,3-benzodioxol-5-yl-[4-[1,3-benzodioxol-5-yl-(...) Show SMILES Oc1cc2OCOc2cc1C(N1CCN(CC1)C(c1ccc2OCOc2c1)c1cc2OCOc2cc1O)c1ccc2OCOc2c1 Show InChI InChI=1S/C34H30N2O10/c37-23-13-31-29(43-17-45-31)11-21(23)33(19-1-3-25-27(9-19)41-15-39-25)35-5-7-36(8-6-35)34(20-2-4-26-28(10-20)42-16-40-26)22-12-30-32(14-24(22)38)46-18-44-30/h1-4,9-14,33-34,37-38H,5-8,15-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40323 (MLS000564159 | N-[bis(diethylamino)phosphoryl]-2,2...) Show SMILES CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC Show InChI InChI=1S/C10H21Cl3N3O2P/c1-5-15(6-2)19(18,16(7-3)8-4)14-9(17)10(11,12)13/h5-8H2,1-4H3,(H,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41971 (6-[(4-methoxyphenyl)-(1-pyrrolidinyl)methyl]-1,3-b...) Show SMILES COc1ccc(cc1)C(N1CCCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C19H21NO4/c1-22-14-6-4-13(5-7-14)19(20-8-2-3-9-20)15-10-17-18(11-16(15)21)24-12-23-17/h4-7,10-11,19,21H,2-3,8-9,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40321 ((6E)-6-(4-pyrrolidin-1-yl-1H-quinazolin-2-ylidene)...) Show SMILES Oc1ccccc1-c1nc(N2CCCC2)c2ccccc2n1 Show InChI InChI=1S/C18H17N3O/c22-16-10-4-2-8-14(16)17-19-15-9-3-1-7-13(15)18(20-17)21-11-5-6-12-21/h1-4,7-10,22H,5-6,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40311 (5-[(4-benzofuro[3,2-d]pyrimidinylthio)methyl]-2-fu...) Show SMILES COC(=O)c1ccc(CSc2ncnc3c4ccccc4oc23)o1 Show InChI InChI=1S/C17H12N2O4S/c1-21-17(20)13-7-6-10(22-13)8-24-16-15-14(18-9-19-16)11-4-2-3-5-12(11)23-15/h2-7,9H,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM35371 ((7-chloro-5-pyrrolidino-benzofurazan-4-yl)amine | ...) Show SMILES Nc1c(cc(Cl)c2nonc12)N1CCCC1 Show InChI InChI=1S/C10H11ClN4O/c11-6-5-7(15-3-1-2-4-15)8(12)10-9(6)13-16-14-10/h5H,1-4,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40317 (2-[(3-methylbenzyl)sulfanyl]-6,7-dihydro-5H-cyclop...) Show SMILES Cc1cccc(CSc2nc3CCCc3cc2C#N)c1 Show InChI InChI=1S/C17H16N2S/c1-12-4-2-5-13(8-12)11-20-17-15(10-18)9-14-6-3-7-16(14)19-17/h2,4-5,8-9H,3,6-7,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM34182 (3-anilino-2H-isoquinolin-1-one | 3-anilinoisocarbo...) Show SMILES O=c1[nH]c(Nc2ccccc2)cc2ccccc12 Show InChI InChI=1S/C15H12N2O/c18-15-13-9-5-4-6-11(13)10-14(17-15)16-12-7-2-1-3-8-12/h1-10H,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40322 (2-(1-benzotriazolyl)-3-(4-morpholinyl)naphthalene-...) Show SMILES O=C1C(N2CCOCC2)=C(C(=O)c2ccccc12)n1nnc2ccccc12 |c:9| Show InChI InChI=1S/C20H16N4O3/c25-19-13-5-1-2-6-14(13)20(26)18(17(19)23-9-11-27-12-10-23)24-16-8-4-3-7-15(16)21-22-24/h1-8H,9-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41963 (5-[(3-aminooxycarbonyl-4-hydroxy-phenyl)-(3-aminoo...) Show SMILES [#7]-[#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](=O)-[#8]-[#7])-c1ccc(-[#8])c(c1)-[#6](=O)-[#8]-[#7] |c:7,t:4| Show InChI InChI=1S/C22H17N3O9/c23-32-20(29)13-7-10(1-4-16(13)26)19(11-2-5-17(27)14(8-11)21(30)33-24)12-3-6-18(28)15(9-12)22(31)34-25/h1-9,26-27H,23-25H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41972 (6-[(4-fluorophenyl)-(1-pyrrolidinyl)methyl]-1,3-be...) Show SMILES Oc1cc2OCOc2cc1C(N1CCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C18H18FNO3/c19-13-5-3-12(4-6-13)18(20-7-1-2-8-20)14-9-16-17(10-15(14)21)23-11-22-16/h3-6,9-10,18,21H,1-2,7-8,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40304 (C-(1-Propyl-1,2,3,4-tetrahydro-quinolin-6-yl)-meth...) Show SMILES CCCN1CCCc2cc(CN)ccc12 Show InChI InChI=1S/C13H20N2/c1-2-7-15-8-3-4-12-9-11(10-14)5-6-13(12)15/h5-6,9H,2-4,7-8,10,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40320 ((2E)-3-(4-methylphenyl)-2-(2,3,3-trichloro-1-nitro...) Show SMILES [#6]-c1ccc(cc1)-[n+]1c(-[#8])csc1-[#6-](\[#6](Cl)=[#6](\Cl)Cl)-[#7+](-[#8-])=O Show InChI InChI=1S/C13H9Cl3N2O3S/c1-7-2-4-8(5-3-7)17-9(19)6-22-13(17)11(18(20)21)10(14)12(15)16/h2-6,19H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM40324 ((4Z)-2-nitro-4-[(2-thiazolylhydrazo)methylidene]-1...) Show SMILES [O-][N+](=O)c1c[c-](C[NH+]=Nc2nccs2)ccc1=O |w:7.6| Show InChI InChI=1S/C10H7N4O3S/c15-9-2-1-7(5-8(9)14(16)17)6-12-13-10-11-3-4-18-10/h1-5H,6H2/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4
					More data for this Ligand-Target Pair
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human))	BDBM41964 (6-[(2-methoxyphenyl)-(4-morpholinyl)methyl]-1,3-be...) Show SMILES COc1ccccc1C(N1CCOCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C19H21NO5/c1-22-16-5-3-2-4-13(16)19(20-6-8-23-9-7-20)14-10-17-18(11-15(14)21)25-12-24-17/h2-5,10-11,19,21H,6-9,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6
					More data for this Ligand-Target Pair

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