BDBM50400601 CHEMBL2203434

SMILES: CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

InChI Key: InChIKey=GVFQHBBRWBJGNU-UHFFFAOYSA-N

Data: 10 IC50  5 Kd

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 15 hits for monomerid = 50400601   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C19				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta phosphorylation in human MG63 cells				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to PDGFRbeta expressed in HEK-293 cells				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to PDGFRalpha expressed in HEK-293 cells				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of KIT phosphorylation in human H526 cells				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to KIT expressed in HEK-293 cells				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FLT3 phosphorylation in human MV4-11 cells				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair
Macrophage colony stimulating factor receptor (Homo sapiens (Human))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of M-CSF-induced FK506 -fussed CSF1R phosphorylation expressed in HEK293 cells after 2 hrs by sandwich ELISA				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms) (Mus musculus (Mouse))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair
Macrophage colony stimulating factor receptor (Homo sapiens (Human))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to CSF1R expressed in HEK-293 cells after 1 hr				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to FLT3 expressed in HEK-293 cells after 1 hr				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50400601 (CHEMBL2203434) Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2				ACS Med Chem Lett 3: 997-1002 (2012) Article DOI: 10.1021/ml300214g BindingDB Entry DOI: 10.7270/Q22V2H9V
					More data for this Ligand-Target Pair