Identical Ligands in BindingDB

Found 5 hits Enzyme Inhibition Constant Data   

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   (297/300 = 99%)† (Mus musculus)	BDBM102619 (K02288a | US10688093, Compound 382_0087_0284 | US1...) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1 Show InChI InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology									ACS Chem Biol 8: 1291-302 (2013) Article DOI: 10.1021/cb300655w BindingDB Entry DOI: 10.7270/Q2ZW1JKW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1   (298/300 > 99%)† (Homo sapiens (Human))	BDBM102619 (K02288a | US10688093, Compound 382_0087_0284 | US1...) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1 Show InChI InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant human ALK2 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]				J Med Chem 57: 7900-15 (2014) Article DOI: 10.1021/jm501177w BindingDB Entry DOI: 10.7270/Q2PK0HS6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1   (297/300 = 99%)† (Mus musculus)	BDBM102619 (K02288a | US10688093, Compound 382_0087_0284 | US1...) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1 Show InChI InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology Curated by ChEMBL					Assay Description Inhibition of BMP2-induced BMP receptor type 1 ALK2 in mouse C2C12 cells after 30 mins by luciferase reporter gene assay				J Med Chem 57: 7900-15 (2014) Article DOI: 10.1021/jm501177w BindingDB Entry DOI: 10.7270/Q2PK0HS6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1   (297/300 = 99%)† (Mus musculus)	BDBM102619 (K02288a | US10688093, Compound 382_0087_0284 | US1...) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1 Show InChI InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology Curated by ChEMBL					Assay Description Inhibition of BMP4-induced BMP receptor in mouse C2C12 cells after 30 mins by luciferase reporter gene assay				J Med Chem 57: 7900-15 (2014) Article DOI: 10.1021/jm501177w BindingDB Entry DOI: 10.7270/Q2PK0HS6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1   (297/300 = 99%)† (Mus musculus)	BDBM102619 (K02288a | US10688093, Compound 382_0087_0284 | US1...) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1 Show InChI InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology Curated by ChEMBL					Assay Description Inhibition of BMP6-induced BMP receptor type 1 ALK2 in mouse C2C12 cells after 30 mins by luciferase reporter gene assay				J Med Chem 57: 7900-15 (2014) Article DOI: 10.1021/jm501177w BindingDB Entry DOI: 10.7270/Q2PK0HS6
					More data for this Ligand-Target Pair				3D Structure (crystal)

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