BDBM50393538 CHEMBL2158224

SMILES: O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(Cc2ccccn2)CC1)c1ncc([nH]1)C#N

InChI Key: InChIKey=KWLXMAXTGKZBPW-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 = 50393538   

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
Macrophage colony stimulating factor receptor (Homo sapiens (Human))	BDBM50393538 (CHEMBL2158224) Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(Cc2ccccn2)CC1)c1ncc([nH]1)C#N |t:10| Show InChI InChI=1S/C28H30N6O/c29-17-24-18-31-27(32-24)28(35)33-26-10-9-22(16-25(26)21-6-2-1-3-7-21)20-11-14-34(15-12-20)19-23-8-4-5-13-30-23/h4-6,8-10,13,16,18,20H,1-3,7,11-12,14-15,19H2,(H,31,32)(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization				J Med Chem 54: 7860-83 (2011) Article DOI: 10.1021/jm200900q BindingDB Entry DOI: 10.7270/Q2VD70JB
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms) (Mus musculus (Mouse))	BDBM50393538 (CHEMBL2158224) Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(Cc2ccccn2)CC1)c1ncc([nH]1)C#N |t:10| Show InChI InChI=1S/C28H30N6O/c29-17-24-18-31-27(32-24)28(35)33-26-10-9-22(16-25(26)21-6-2-1-3-7-21)20-11-14-34(15-12-20)19-23-8-4-5-13-30-23/h4-6,8-10,13,16,18,20H,1-3,7,11-12,14-15,19H2,(H,31,32)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of FMS-mediated proliferation in CSF1-stimulated bone marrow-derived mouse macrophages assessed as inhibition of incorporation of bromodeo...				J Med Chem 54: 7860-83 (2011) Article DOI: 10.1021/jm200900q BindingDB Entry DOI: 10.7270/Q2VD70JB
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50393538 (CHEMBL2158224) Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(Cc2ccccn2)CC1)c1ncc([nH]1)C#N |t:10| Show InChI InChI=1S/C28H30N6O/c29-17-24-18-31-27(32-24)28(35)33-26-10-9-22(16-25(26)21-6-2-1-3-7-21)20-11-14-34(15-12-20)19-23-8-4-5-13-30-23/h4-6,8-10,13,16,18,20H,1-3,7,11-12,14-15,19H2,(H,31,32)(H,33,35)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 54: 7860-83 (2011) Article DOI: 10.1021/jm200900q BindingDB Entry DOI: 10.7270/Q2VD70JB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50393538 (CHEMBL2158224) Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(Cc2ccccn2)CC1)c1ncc([nH]1)C#N |t:10| Show InChI InChI=1S/C28H30N6O/c29-17-24-18-31-27(32-24)28(35)33-26-10-9-22(16-25(26)21-6-2-1-3-7-21)20-11-14-34(15-12-20)19-23-8-4-5-13-30-23/h4-6,8-10,13,16,18,20H,1-3,7,11-12,14-15,19H2,(H,31,32)(H,33,35)	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	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]astemizole from human ERG potassium channel				J Med Chem 54: 7860-83 (2011) Article DOI: 10.1021/jm200900q BindingDB Entry DOI: 10.7270/Q2VD70JB
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50393538 (CHEMBL2158224) Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(Cc2ccccn2)CC1)c1ncc([nH]1)C#N |t:10| Show InChI InChI=1S/C28H30N6O/c29-17-24-18-31-27(32-24)28(35)33-26-10-9-22(16-25(26)21-6-2-1-3-7-21)20-11-14-34(15-12-20)19-23-8-4-5-13-30-23/h4-6,8-10,13,16,18,20H,1-3,7,11-12,14-15,19H2,(H,31,32)(H,33,35)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 54: 7860-83 (2011) Article DOI: 10.1021/jm200900q BindingDB Entry DOI: 10.7270/Q2VD70JB
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393538 (CHEMBL2158224) Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(Cc2ccccn2)CC1)c1ncc([nH]1)C#N |t:10| Show InChI InChI=1S/C28H30N6O/c29-17-24-18-31-27(32-24)28(35)33-26-10-9-22(16-25(26)21-6-2-1-3-7-21)20-11-14-34(15-12-20)19-23-8-4-5-13-30-23/h4-6,8-10,13,16,18,20H,1-3,7,11-12,14-15,19H2,(H,31,32)(H,33,35)	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	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 54: 7860-83 (2011) Article DOI: 10.1021/jm200900q BindingDB Entry DOI: 10.7270/Q2VD70JB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50393538 (CHEMBL2158224) Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(Cc2ccccn2)CC1)c1ncc([nH]1)C#N |t:10| Show InChI InChI=1S/C28H30N6O/c29-17-24-18-31-27(32-24)28(35)33-26-10-9-22(16-25(26)21-6-2-1-3-7-21)20-11-14-34(15-12-20)19-23-8-4-5-13-30-23/h4-6,8-10,13,16,18,20H,1-3,7,11-12,14-15,19H2,(H,31,32)(H,33,35)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 54: 7860-83 (2011) Article DOI: 10.1021/jm200900q BindingDB Entry DOI: 10.7270/Q2VD70JB
					More data for this Ligand-Target Pair