Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50012414   

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
Activin receptor type-1 (Homo sapiens (Human))	BDBM50557476 (CHEMBL4748071) Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				Bioorg Med Chem Lett 12: 2743-7 (2002) Article DOI: 10.1016/j.bmcl.2021.127858 BindingDB Entry DOI: 10.7270/Q25M69C9
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50557474 (CHEMBL4744674) Show SMILES C1CN(CCN1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				Bioorg Med Chem Lett 12: 2743-7 (2002) Article DOI: 10.1016/j.bmcl.2021.127858 BindingDB Entry DOI: 10.7270/Q25M69C9
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50557481 (CHEMBL4749744) Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3CCCCn3nc2-c2cccnc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				Bioorg Med Chem Lett 12: 2743-7 (2002) Article DOI: 10.1016/j.bmcl.2021.127858 BindingDB Entry DOI: 10.7270/Q25M69C9
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50557475 (CHEMBL4776838) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				Bioorg Med Chem Lett 12: 2743-7 (2002) Article DOI: 10.1016/j.bmcl.2021.127858 BindingDB Entry DOI: 10.7270/Q25M69C9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50557480 (CHEMBL4797111) Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3CCCn3nc2-c2cccnc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				Bioorg Med Chem Lett 12: 2743-7 (2002) Article DOI: 10.1016/j.bmcl.2021.127858 BindingDB Entry DOI: 10.7270/Q25M69C9
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50557473 (CHEMBL4749510) Show SMILES C1CN(CCO1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				Bioorg Med Chem Lett 12: 2743-7 (2002) Article DOI: 10.1016/j.bmcl.2021.127858 BindingDB Entry DOI: 10.7270/Q25M69C9
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50557472 (CHEMBL4747414) Show SMILES COc1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				Bioorg Med Chem Lett 12: 2743-7 (2002) Article DOI: 10.1016/j.bmcl.2021.127858 BindingDB Entry DOI: 10.7270/Q25M69C9
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50557477 (CHEMBL4760836) Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2ccccc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	276	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				Bioorg Med Chem Lett 12: 2743-7 (2002) Article DOI: 10.1016/j.bmcl.2021.127858 BindingDB Entry DOI: 10.7270/Q25M69C9
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50557478 (CHEMBL4793870) Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2ccccn2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	665	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				Bioorg Med Chem Lett 12: 2743-7 (2002) Article DOI: 10.1016/j.bmcl.2021.127858 BindingDB Entry DOI: 10.7270/Q25M69C9
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50557471 (CHEMBL4798765) Show SMILES COc1ccc(Nc2nccc(n2)-c2c[nH]nc2-c2cccnc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	684	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				Bioorg Med Chem Lett 12: 2743-7 (2002) Article DOI: 10.1016/j.bmcl.2021.127858 BindingDB Entry DOI: 10.7270/Q25M69C9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50557479 (CHEMBL4799263) Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2ccncc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				Bioorg Med Chem Lett 12: 2743-7 (2002) Article DOI: 10.1016/j.bmcl.2021.127858 BindingDB Entry DOI: 10.7270/Q25M69C9
					More data for this Ligand-Target Pair