BDBM50544409 CHEMBL4638544

SMILES: COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=NTSCRYROMBWNCU-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50544409   

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 (Homo sapiens (Human))	BDBM50544409 (CHEMBL4638544) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H31N3O5S/c1-18-22(16-27-17-23(18)20-14-24(32-2)26(34-4)25(15-20)33-3)19-6-8-21(9-7-19)28-10-12-29(13-11-28)35(5,30)31/h6-9,14-17H,10-13H2,1-5H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020)
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50544409 (CHEMBL4638544) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H31N3O5S/c1-18-22(16-27-17-23(18)20-14-24(32-2)26(34-4)25(15-20)33-3)19-6-8-21(9-7-19)28-10-12-29(13-11-28)35(5,30)31/h6-9,14-17H,10-13H2,1-5H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK5 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020)
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50544409 (CHEMBL4638544) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H31N3O5S/c1-18-22(16-27-17-23(18)20-14-24(32-2)26(34-4)25(15-20)33-3)19-6-8-21(9-7-19)28-10-12-29(13-11-28)35(5,30)31/h6-9,14-17H,10-13H2,1-5H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells after 5 mins by IonWorks barracuda patch clamp method				J Med Chem 63: 10061-10085 (2020)
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50544409 (CHEMBL4638544) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H31N3O5S/c1-18-22(16-27-17-23(18)20-14-24(32-2)26(34-4)25(15-20)33-3)19-6-8-21(9-7-19)28-10-12-29(13-11-28)35(5,30)31/h6-9,14-17H,10-13H2,1-5H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant human ALK5 expressed in HEK293 cells transfected with CAGA-luciferase and Renilla luciferase reporter after 24 hrs by dual ...				J Med Chem 63: 10061-10085 (2020)
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM50544409 (CHEMBL4638544) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H31N3O5S/c1-18-22(16-27-17-23(18)20-14-24(32-2)26(34-4)25(15-20)33-3)19-6-8-21(9-7-19)28-10-12-29(13-11-28)35(5,30)31/h6-9,14-17H,10-13H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK4 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020)
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544409 (CHEMBL4638544) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H31N3O5S/c1-18-22(16-27-17-23(18)20-14-24(32-2)26(34-4)25(15-20)33-3)19-6-8-21(9-7-19)28-10-12-29(13-11-28)35(5,30)31/h6-9,14-17H,10-13H2,1-5H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020)
					More data for this Ligand-Target Pair