Identical Ligands in BindingDB

Found 6 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)	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.670	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))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay				J Med Chem 60: 1495-1508 (2017) Article DOI: 10.1021/acs.jmedchem.6b01679 BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1   (298/300 > 99%)† (Homo sapiens (Human))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...				Bioorg Med Chem Lett 28: 3356-3362 (2018) Article DOI: 10.1016/j.bmcl.2018.09.006 BindingDB Entry DOI: 10.7270/Q2NZ8BBT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1   (298/300 > 99%)† (Homo sapiens (Human))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40.7	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1   (298/300 > 99%)† (Homo sapiens (Human))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of ALK2 (unknown origin)				Bioorg Med Chem Lett 23: 3248-52 (2013) Article DOI: 10.1016/j.bmcl.2013.03.113 BindingDB Entry DOI: 10.7270/Q2WW7K3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1   (297/300 = 99%)† (Mus musculus)	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of BMP6-induced ALK2 transcriptional activity in mouse C2C12 cells expressing BRE-Luc after 30 mins by luciferase reporter gene assay				Bioorg Med Chem Lett 28: 3356-3362 (2018) Article DOI: 10.1016/j.bmcl.2018.09.006 BindingDB Entry DOI: 10.7270/Q2NZ8BBT
					More data for this Ligand-Target Pair				3D Structure (crystal)

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