Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'darby' and Initial = 'mv'   

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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.184	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.351	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human TYK2 using KKSRGDYMTMQIG as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.542	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human PKCa using histone H1 as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.08	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.39	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human LYN using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.58	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human PKACA using LCGRTGRRNSI as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.76	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.35	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human YES/YES1 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.68	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human LCK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein kinase C gamma type (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.76	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human PKCg using histone H1 as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.82	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin)				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.94	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human AKT1 using KGSGSGRPRTSSFAEG as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human ZAP70 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	18.1	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human FAK/PTK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20.3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclinD1 using RB-CTF as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	45.8	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human MEK1 using ERK2 as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human ABL1 using EAIYAAPFAKKK as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human mTOR/FRAP1 using 4EBP1 as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (Homo sapiens (Human))	BDBM50374126 (CHEMBL271794) Show SMILES CN(c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1OCc1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C28H26N2O4S/c1-30(35(2,32)33)26-18-17-25(19-27(26)34-20-21-9-5-3-6-10-21)29-28(31)24-15-13-23(14-16-24)22-11-7-4-8-12-22/h3-19H,20H2,1-2H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374150 (CHEMBL374651) Show SMILES CS(=O)(=O)Nc1ccc(cc1OCCc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C15H16N2O5S/c1-23(20,21)16-14-8-7-13(17(18)19)11-15(14)22-10-9-12-5-3-2-4-6-12/h2-8,11,16H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50182539 (CHEMBL202030 | N-methyl-N-(2-(1-ethyl-propyloxy-4-...) Show SMILES CCC(CC)Oc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O Show InChI InChI=1S/C13H20N2O5S/c1-5-11(6-2)20-13-9-10(15(16)17)7-8-12(13)14(3)21(4,18)19/h7-9,11H,5-6H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374131 (CHEMBL270917) Show SMILES CN(c1ccc(NC(=O)C2CCCCC2)cc1OCc1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C22H28N2O4S/c1-24(29(2,26)27)20-14-13-19(23-22(25)18-11-7-4-8-12-18)15-21(20)28-16-17-9-5-3-6-10-17/h3,5-6,9-10,13-15,18H,4,7-8,11-12,16H2,1-2H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374162 (CHEMBL223162) Show SMILES CS(=O)(=O)Nc1ccc(cc1OCc1ccccc1-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C20H18N2O5S/c1-28(25,26)21-19-12-11-17(22(23)24)13-20(19)27-14-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-13,21H,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374156 (CHEMBL220774) Show SMILES CS(=O)(=O)Nc1ccc(cc1OCc1ccc(Cl)cc1)[N+]([O-])=O Show InChI InChI=1S/C14H13ClN2O5S/c1-23(20,21)16-13-7-6-12(17(18)19)8-14(13)22-9-10-2-4-11(15)5-3-10/h2-8,16H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50182538 (CHEMBL202474 | N-(2-(1-ethyl-propyloxy-4-nitrophen...) Show SMILES CCC(CC)Oc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O Show InChI InChI=1S/C12H18N2O5S/c1-4-10(5-2)19-12-8-9(14(15)16)6-7-11(12)13-20(3,17)18/h6-8,10,13H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374153 (CHEMBL220793) Show SMILES CN(c1ccc(cc1OCc1ccc(Br)cc1)[N+]([O-])=O)S(C)(=O)=O Show InChI InChI=1S/C15H15BrN2O5S/c1-17(24(2,21)22)14-8-7-13(18(19)20)9-15(14)23-10-11-3-5-12(16)6-4-11/h3-9H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50205808 (CHEMBL223368 | N-[2-(biphenyl-2-ylmethoxy)-4-nitro...) Show SMILES CN(c1ccc(cc1OCc1ccccc1-c1ccccc1)[N+]([O-])=O)S(C)(=O)=O Show InChI InChI=1S/C21H20N2O5S/c1-22(29(2,26)27)20-13-12-18(23(24)25)14-21(20)28-15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50264841 (CHEMBL4076767) Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2cc[nH]c2n1)N1CCOCC1 Show InChI InChI=1S/C23H30N6O2/c1-30-20-15-17(29-11-13-31-14-12-29)7-8-19(20)26-23-27-21-18(9-10-24-21)22(28-23)25-16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-14H2,1H3,(H3,24,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	356	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged Mps1/TTK (507 to 1400 residues) using recombinant cetn2 as substrate in presence of [gamma-32P]ATP measure...				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374164 (CHEMBL220886) Show SMILES Cc1ccc(C)c(COc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C16H18N2O5S/c1-11-4-5-12(2)13(8-11)10-23-16-9-14(18(19)20)6-7-15(16)17-24(3,21)22/h4-9,17H,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374163 (CHEMBL223109) Show SMILES CS(=O)(=O)Nc1ccc(cc1OCc1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C14H13N3O7S/c1-25(22,23)15-13-7-6-12(17(20)21)8-14(13)24-9-10-2-4-11(5-3-10)16(18)19/h2-8,15H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50182541 (CHEMBL202473 | N-(2-(cyclopentyloxy)-4-nitrophenyl...) Show SMILES CN(c1ccc(cc1OC1CCCC1)[N+]([O-])=O)S(C)(=O)=O Show InChI InChI=1S/C13H18N2O5S/c1-14(21(2,18)19)12-8-7-10(15(16)17)9-13(12)20-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374128 (CHEMBL409271) Show SMILES CN(c1ccc(NC(=O)c2ccc(cc2)C#N)cc1OCc1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C23H21N3O4S/c1-26(31(2,28)29)21-13-12-20(14-22(21)30-16-18-6-4-3-5-7-18)25-23(27)19-10-8-17(15-24)9-11-19/h3-14H,16H2,1-2H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374159 (CHEMBL224037) Show SMILES COc1ccc(COc2cc(ccc2N(C)S(C)(=O)=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H18N2O6S/c1-17(25(3,21)22)15-9-6-13(18(19)20)10-16(15)24-11-12-4-7-14(23-2)8-5-12/h4-10H,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50182545 (CHEMBL204183 | N-(2-(cyclohexyloxy)-4-nitrophenyl)...) Show SMILES CN(c1ccc(cc1OC1CCCCC1)[N+]([O-])=O)S(C)(=O)=O Show InChI InChI=1S/C14H20N2O5S/c1-15(22(2,19)20)13-9-8-11(16(17)18)10-14(13)21-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50205811 (CHEMBL376303 | N-(2-(4-nitrobenzyloxy)-4-nitrophen...) Show SMILES CN(c1ccc(cc1OCc1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O)S(C)(=O)=O Show InChI InChI=1S/C15H15N3O7S/c1-16(26(2,23)24)14-8-7-13(18(21)22)9-15(14)25-10-11-3-5-12(6-4-11)17(19)20/h3-9H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374149 (CHEMBL436515) Show SMILES CN(c1ccc(cc1OCCc1ccccc1)[N+]([O-])=O)S(C)(=O)=O Show InChI InChI=1S/C16H18N2O5S/c1-17(24(2,21)22)15-9-8-14(18(19)20)12-16(15)23-11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374157 (CHEMBL373427) Show SMILES CS(=O)(=O)Nc1ccc(cc1OCc1ccc(F)cc1)[N+]([O-])=O Show InChI InChI=1S/C14H13FN2O5S/c1-23(20,21)16-13-7-6-12(17(18)19)8-14(13)22-9-10-2-4-11(15)5-3-10/h2-8,16H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	581	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human JNK1 using ATF2 as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374151 (CHEMBL373377) Show SMILES CN(c1ccc(cc1OCc1ccc(cc1)-c1ccccc1)[N+]([O-])=O)S(C)(=O)=O Show InChI InChI=1S/C21H20N2O5S/c1-22(29(2,26)27)20-13-12-19(23(24)25)14-21(20)28-15-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374129 (CHEMBL270915) Show SMILES CN(c1ccc(NC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1OCc1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C22H20ClN3O6S/c1-25(33(2,30)31)19-11-9-17(13-21(19)32-14-15-6-4-3-5-7-15)24-22(27)16-8-10-18(23)20(12-16)26(28)29/h3-13H,14H2,1-2H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374130 (CHEMBL271129) Show SMILES CN(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C22H20Cl2N2O4S/c1-26(31(2,28)29)20-11-9-17(13-21(20)30-14-15-6-4-3-5-7-15)25-22(27)16-8-10-18(23)19(24)12-16/h3-13H,14H2,1-2H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50182542 (CHEMBL382482 | N-methyl-N-(2-propyloxy-4-nitrophen...) Show SMILES CCCOc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O Show InChI InChI=1S/C11H16N2O5S/c1-4-7-18-11-8-9(13(14)15)5-6-10(11)12(2)19(3,16)17/h5-6,8H,4,7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50053315 (CHEMBL3330411) Show SMILES COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C27H32N6O4S/c1-17(2)38(35,36)24-7-5-4-6-22(24)29-26-20-10-13-28-25(20)31-27(32-26)30-21-9-8-18(16-23(21)37-3)33-14-11-19(34)12-15-33/h4-10,13,16-17,19,34H,11-12,14-15H2,1-3H3,(H3,28,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	809	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged Mps1/TTK (507 to 1400 residues) using recombinant cetn2 as substrate in presence of [gamma-32P]ATP measure...				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50205813 (CHEMBL222250 | N-(2-(benzyloxy)-4-nitrophenyl)-N-m...) Show SMILES CN(c1ccc(cc1OCc1ccccc1)[N+]([O-])=O)S(C)(=O)=O Show InChI InChI=1S/C15H16N2O5S/c1-16(23(2,20)21)14-9-8-13(17(18)19)10-15(14)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50374152 (CHEMBL426541) Show SMILES CS(=O)(=O)Nc1ccc(cc1OCc1ccc(cc1)-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C20H18N2O5S/c1-28(25,26)21-19-12-11-18(22(23)24)13-20(19)27-14-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-13,21H,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50182537 (CHEMBL437497 | N-(2-(cyclopentyloxy)-4-nitrophenyl...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCC1)[N+]([O-])=O Show InChI InChI=1S/C12H16N2O5S/c1-20(17,18)13-11-7-6-9(14(15)16)8-12(11)19-10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50264841 (CHEMBL4076767) Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2cc[nH]c2n1)N1CCOCC1 Show InChI InChI=1S/C23H30N6O2/c1-30-20-15-17(29-11-13-31-14-12-29)7-8-19(20)26-23-27-21-18(9-10-24-21)22(28-23)25-16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-14H2,1H3,(H3,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	891	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human FAK/PTK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATP				Bioorg Med Chem 25: 2156-2166 (2017) Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50182532 (CHEMBL202469 | N-(2-nonyloxy-4-nitrophenyl)methane...) Show SMILES CCCCCCCCCOc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O Show InChI InChI=1S/C16H26N2O5S/c1-3-4-5-6-7-8-9-12-23-16-13-14(18(19)20)10-11-15(16)17-24(2,21)22/h10-11,13,17H,3-9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
					More data for this Ligand-Target Pair

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