BDBM50421576 CHEMBL325745

SMILES: CCCNC(=O)c1ccccc1NCc1cnc[nH]1

InChI Key: InChIKey=JFEAROLAZKGICP-UHFFFAOYSA-N

Data: 3 IC50  3 EC50

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 6 hits for monomerid = 50421576   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50421576 (CHEMBL325745) Show SMILES CCCNC(=O)c1ccccc1NCc1cnc[nH]1 Show InChI InChI=1S/C14H18N4O/c1-2-7-16-14(19)12-5-3-4-6-13(12)17-9-11-8-15-10-18-11/h3-6,8,10,17H,2,7,9H2,1H3,(H,15,18)(H,16,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Activation of human alpha-1A adrenergic receptor expressed in rat-1 fibroblasts				Bioorg Med Chem Lett 12: 3449-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44RM1
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50421576 (CHEMBL325745) Show SMILES CCCNC(=O)c1ccccc1NCc1cnc[nH]1 Show InChI InChI=1S/C14H18N4O/c1-2-7-16-14(19)12-5-3-4-6-13(12)17-9-11-8-15-10-18-11/h3-6,8,10,17H,2,7,9H2,1H3,(H,15,18)(H,16,19)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Activation of human alpha-1B adrenergic receptors expressed in rat-1 fibroblasts				Bioorg Med Chem Lett 12: 3449-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44RM1
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50421576 (CHEMBL325745) Show SMILES CCCNC(=O)c1ccccc1NCc1cnc[nH]1 Show InChI InChI=1S/C14H18N4O/c1-2-7-16-14(19)12-5-3-4-6-13(12)17-9-11-8-15-10-18-11/h3-6,8,10,17H,2,7,9H2,1H3,(H,15,18)(H,16,19)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human alpha-1B-adrenoreceptor receptors expressed in rat-1 fibroblasts				Bioorg Med Chem Lett 12: 3449-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44RM1
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50421576 (CHEMBL325745) Show SMILES CCCNC(=O)c1ccccc1NCc1cnc[nH]1 Show InChI InChI=1S/C14H18N4O/c1-2-7-16-14(19)12-5-3-4-6-13(12)17-9-11-8-15-10-18-11/h3-6,8,10,17H,2,7,9H2,1H3,(H,15,18)(H,16,19)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	871	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human alpha-1D-adrenoreceptor receptors expressed in rat-1 fibroblasts				Bioorg Med Chem Lett 12: 3449-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44RM1
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50421576 (CHEMBL325745) Show SMILES CCCNC(=O)c1ccccc1NCc1cnc[nH]1 Show InChI InChI=1S/C14H18N4O/c1-2-7-16-14(19)12-5-3-4-6-13(12)17-9-11-8-15-10-18-11/h3-6,8,10,17H,2,7,9H2,1H3,(H,15,18)(H,16,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human alpha-1A-adrenoreceptor receptors expressed in rat-1 fibroblasts				Bioorg Med Chem Lett 12: 3449-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44RM1
					More data for this Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d) (Homo sapiens (Human))	BDBM50421576 (CHEMBL325745) Show SMILES CCCNC(=O)c1ccccc1NCc1cnc[nH]1 Show InChI InChI=1S/C14H18N4O/c1-2-7-16-14(19)12-5-3-4-6-13(12)17-9-11-8-15-10-18-11/h3-6,8,10,17H,2,7,9H2,1H3,(H,15,18)(H,16,19)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Activation of human Alpha-1D adrenergic receptors expressed in rat-1 fibroblasts				Bioorg Med Chem Lett 12: 3449-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44RM1
					More data for this Ligand-Target Pair