null

SMILES: Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1

InChI Key: InChIKey=MEDZXCCPJFWNLJ-BORAJFNMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 451798   

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
Activin receptor type-1 [172-499] (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...				US Patent US10710980 (2020)
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1A [198-525] (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...				US Patent US10710980 (2020)
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499] (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...				US Patent US10710980 (2020)
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499,R206H] (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...				US Patent US10710980 (2020)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 [166-493] (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...				US Patent US10710980 (2020)
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [162-503] (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...				US Patent US10710980 (2020)
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for wild-type ALK2 (aa172-499), ALK2 FOP mutant (aa172-499 R20...				US Patent US10947218 (2021)
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499] (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures autophosphorylation using the ADP-Glo Kinase Assay (Promega, V9101) was set-up for wild-type ALK2 (aa172-49...				US Patent US10947218 (2021)
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1A [198-525] (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures autophosphorylation using the ADP-Glo Kinase Assay (Promega, V9101) was set-up for wild-type ALK2 (aa172-49...				US Patent US10947218 (2021)
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499] (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for wild-type ALK2 (aa172-499), ALK2 FOP mutant (aa172-499 R20...				US Patent US10947218 (2021)
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499,R206H] (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for wild-type ALK2 (aa172-499), ALK2 FOP mutant (aa172-499 R20...				US Patent US10947218 (2021)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 [166-493] (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for wild-type ALK2 (aa172-499), ALK2 FOP mutant (aa172-499 R20...				US Patent US10947218 (2021)
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [162-503] (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for wild-type ALK2 (aa172-499), ALK2 FOP mutant (aa172-499 R20...				US Patent US10947218 (2021)
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...				US Patent US10710980 (2020)
					More data for this Ligand-Target Pair