BDBM50544401 CHEMBL4636120

SMILES: COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1

InChI Key: InChIKey=MBOQJJVCBNKCTN-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 50544401   

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))	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	19	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))	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.21E+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
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	98	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))	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	7.48E+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))	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.50E+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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.50E+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 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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+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 CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysis				J Med Chem 63: 10061-10085 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+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 CYP2B6 in human liver microsomes using bupropion as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysis				J Med Chem 63: 10061-10085 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+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 CYP2C8 in human liver microsomes using paclitaxel as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysis				J Med Chem 63: 10061-10085 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+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 CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins in presence of NADPH by LC/MS/MS analysis				J Med Chem 63: 10061-10085 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.43E+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 CYP3A4 in human liver microsomes using testosterone as substrate incubated for 10 mins in presence of NADPH by LC/MS/MS analysis				J Med Chem 63: 10061-10085 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	7.30E+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 CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysis				J Med Chem 63: 10061-10085 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	7.70E+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 CYP2C19 in human liver microsomes using mephenytoin as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysis				J Med Chem 63: 10061-10085 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+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 CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysis				J Med Chem 63: 10061-10085 (2020)
					More data for this Ligand-Target Pair