BDBM50544407 CHEMBL4648707

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

InChI Key: InChIKey=OCAPISKJZHIUCN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50544407   

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))	BDBM50544407 (CHEMBL4648707) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H31N3O4/c1-18-23(20-6-8-22(9-7-20)30-12-10-29(11-13-30)19(2)31)16-28-17-24(18)21-14-25(32-3)27(34-5)26(15-21)33-4/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	22	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))	BDBM50544407 (CHEMBL4648707) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H31N3O4/c1-18-23(20-6-8-22(9-7-20)30-12-10-29(11-13-30)19(2)31)16-28-17-24(18)21-14-25(32-3)27(34-5)26(15-21)33-4/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	>5.00E+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-1 (Homo sapiens (Human))	BDBM50544407 (CHEMBL4648707) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H31N3O4/c1-18-23(20-6-8-22(9-7-20)30-12-10-29(11-13-30)19(2)31)16-28-17-24(18)21-14-25(32-3)27(34-5)26(15-21)33-4/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	267	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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50544407 (CHEMBL4648707) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H31N3O4/c1-18-23(20-6-8-22(9-7-20)30-12-10-29(11-13-30)19(2)31)16-28-17-24(18)21-14-25(32-3)27(34-5)26(15-21)33-4/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	2.52E+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