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SMILES: Cc1c(cncc1-c1ccc2C(=O)NCc2c1)-c1ccc(cc1)N1CCNCC1

InChI Key: InChIKey=ZCLWKSOLVKDHKE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50528191   

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))	BDBM50528191 (CHEMBL4575999) Show SMILES Cc1c(cncc1-c1ccc2C(=O)NCc2c1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H24N4O/c1-16-22(17-2-5-20(6-3-17)28-10-8-25-9-11-28)14-26-15-23(16)18-4-7-21-19(12-18)13-27-24(21)29/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.34E+3	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
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528191 (CHEMBL4575999) Show SMILES Cc1c(cncc1-c1ccc2C(=O)NCc2c1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H24N4O/c1-16-22(17-2-5-20(6-3-17)28-10-8-25-9-11-28)14-26-15-23(16)18-4-7-21-19(12-18)13-27-24(21)29/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	363	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
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528191 (CHEMBL4575999) Show SMILES Cc1c(cncc1-c1ccc2C(=O)NCc2c1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H24N4O/c1-16-22(17-2-5-20(6-3-17)28-10-8-25-9-11-28)14-26-15-23(16)18-4-7-21-19(12-18)13-27-24(21)29/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	171	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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50528191 (CHEMBL4575999) Show SMILES Cc1c(cncc1-c1ccc2C(=O)NCc2c1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H24N4O/c1-16-22(17-2-5-20(6-3-17)28-10-8-25-9-11-28)14-26-15-23(16)18-4-7-21-19(12-18)13-27-24(21)29/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.81E+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
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528191 (CHEMBL4575999) Show SMILES Cc1c(cncc1-c1ccc2C(=O)NCc2c1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H24N4O/c1-16-22(17-2-5-20(6-3-17)28-10-8-25-9-11-28)14-26-15-23(16)18-4-7-21-19(12-18)13-27-24(21)29/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	652	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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50528191 (CHEMBL4575999) Show SMILES Cc1c(cncc1-c1ccc2C(=O)NCc2c1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H24N4O/c1-16-22(17-2-5-20(6-3-17)28-10-8-25-9-11-28)14-26-15-23(16)18-4-7-21-19(12-18)13-27-24(21)29/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+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))	BDBM50528191 (CHEMBL4575999) Show SMILES Cc1c(cncc1-c1ccc2C(=O)NCc2c1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H24N4O/c1-16-22(17-2-5-20(6-3-17)28-10-8-25-9-11-28)14-26-15-23(16)18-4-7-21-19(12-18)13-27-24(21)29/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	226	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