BDBM50421599 CHEMBL155326

SMILES: C(Nc1ccccc1-c1ncco1)C1=NCCN1

InChI Key: InChIKey=PBLOKLHEMAJIKI-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 = 50421599   

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))	BDBM50421599 (CHEMBL155326) Show SMILES C(Nc1ccccc1-c1ncco1)C1=NCCN1 |t:15| Show InChI InChI=1S/C13H14N4O/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8,17H,5-6,9H2,(H,14,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	0.661	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro activation of human alpha-1A receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...				Bioorg Med Chem Lett 12: 575-9 (2002) BindingDB Entry DOI: 10.7270/Q2Z320ZN
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50421599 (CHEMBL155326) Show SMILES C(Nc1ccccc1-c1ncco1)C1=NCCN1 |t:15| Show InChI InChI=1S/C13H14N4O/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8,17H,5-6,9H2,(H,14,15)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...				Bioorg Med Chem Lett 12: 575-9 (2002) BindingDB Entry DOI: 10.7270/Q2Z320ZN
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50421599 (CHEMBL155326) Show SMILES C(Nc1ccccc1-c1ncco1)C1=NCCN1 |t:15| Show InChI InChI=1S/C13H14N4O/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8,17H,5-6,9H2,(H,14,15)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro binding affinity against human Alpha-1D adrenergic receptor expressed in rat-1 fibroblasts				Bioorg Med Chem Lett 12: 575-9 (2002) BindingDB Entry DOI: 10.7270/Q2Z320ZN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50421599 (CHEMBL155326) Show SMILES C(Nc1ccccc1-c1ncco1)C1=NCCN1 |t:15| Show InChI InChI=1S/C13H14N4O/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8,17H,5-6,9H2,(H,14,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro binding affinity against human Alpha-1A adrenergic receptor expressed in rat-1 fibroblasts cells				Bioorg Med Chem Lett 12: 575-9 (2002) BindingDB Entry DOI: 10.7270/Q2Z320ZN
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50421599 (CHEMBL155326) Show SMILES C(Nc1ccccc1-c1ncco1)C1=NCCN1 |t:15| Show InChI InChI=1S/C13H14N4O/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8,17H,5-6,9H2,(H,14,15)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro binding affinity against human Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts				Bioorg Med Chem Lett 12: 575-9 (2002) BindingDB Entry DOI: 10.7270/Q2Z320ZN
					More data for this Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d) (Homo sapiens (Human))	BDBM50421599 (CHEMBL155326) Show SMILES C(Nc1ccccc1-c1ncco1)C1=NCCN1 |t:15| Show InChI InChI=1S/C13H14N4O/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8,17H,5-6,9H2,(H,14,15)	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	5	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro activation of human alpha-1D receptor expressed in rat-1 fibroblasts via calcium using mobilization through the Gq coupled PLC pathway as fu...				Bioorg Med Chem Lett 12: 575-9 (2002) BindingDB Entry DOI: 10.7270/Q2Z320ZN
					More data for this Ligand-Target Pair