BDBM50528208 CHEMBL4440168

SMILES: COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1

InChI Key: InChIKey=MMFJWPKCJBEUIB-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50528208   

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))	BDBM50528208 (CHEMBL4440168) Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25FN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of ALK2 G328V mutant (unknown origin)				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528208 (CHEMBL4440168) Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25FN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528208 (CHEMBL4440168) Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25FN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of C-terminal nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substr...				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50528208 (CHEMBL4440168) Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25FN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of ALK5 (unknown origin) expressed in HEK293 cells transfected with CAGA-luciferase and Renilla luciferase reporter measured after 24 hrs ...				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50528208 (CHEMBL4440168) Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25FN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of human ALK5 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528208 (CHEMBL4440168) Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25FN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528208 (CHEMBL4440168) Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25FN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of ALK2 R258G mutant (unknown origin)				J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395
					More data for this Ligand-Target Pair