Identical Ligands in BindingDB

Found 4 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   (298/300 > 99%)† (Homo sapiens (Human))	BDBM50056675 (CHEMBL3341787) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H27N3O3/c1-28-22-13-18(14-23(29-2)24(22)30-3)20-12-19(15-26-16-20)17-4-6-21(7-5-17)27-10-8-25-9-11-27/h4-7,12-16,25H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	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)	BDBM50056675 (CHEMBL3341787) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H27N3O3/c1-28-22-13-18(14-23(29-2)24(22)30-3)20-12-19(15-26-16-20)17-4-6-21(7-5-17)27-10-8-25-9-11-27/h4-7,12-16,25H,8-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	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)
Activin receptor type-1   (297/300 = 99%)† (Mus musculus)	BDBM50056675 (CHEMBL3341787) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H27N3O3/c1-28-22-13-18(14-23(29-2)24(22)30-3)20-12-19(15-26-16-20)17-4-6-21(7-5-17)27-10-8-25-9-11-27/h4-7,12-16,25H,8-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	240	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)	BDBM50056675 (CHEMBL3341787) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H27N3O3/c1-28-22-13-18(14-23(29-2)24(22)30-3)20-12-19(15-26-16-20)17-4-6-21(7-5-17)27-10-8-25-9-11-27/h4-7,12-16,25H,8-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	250	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)

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