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SMILES: C(Nc1ccccc1-c1ncccn1)C1=NCCN1

InChI Key: InChIKey=CMDSTJSCXRZEFV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50421600   

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))	BDBM50421600 (CHEMBL156661) Show SMILES C(Nc1ccccc1-c1ncccn1)C1=NCCN1 |t:16| Show InChI InChI=1S/C14H15N5/c1-2-5-12(19-10-13-15-8-9-16-13)11(4-1)14-17-6-3-7-18-14/h1-7,19H,8-10H2,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	10	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
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50421600 (CHEMBL156661) Show SMILES C(Nc1ccccc1-c1ncccn1)C1=NCCN1 |t:16| Show InChI InChI=1S/C14H15N5/c1-2-5-12(19-10-13-15-8-9-16-13)11(4-1)14-17-6-3-7-18-14/h1-7,19H,8-10H2,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	78	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-1A adrenergic receptor (Homo sapiens (Human))	BDBM50421600 (CHEMBL156661) Show SMILES C(Nc1ccccc1-c1ncccn1)C1=NCCN1 |t:16| Show InChI InChI=1S/C14H15N5/c1-2-5-12(19-10-13-15-8-9-16-13)11(4-1)14-17-6-3-7-18-14/h1-7,19H,8-10H2,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	191	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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50421600 (CHEMBL156661) Show SMILES C(Nc1ccccc1-c1ncccn1)C1=NCCN1 |t:16| Show InChI InChI=1S/C14H15N5/c1-2-5-12(19-10-13-15-8-9-16-13)11(4-1)14-17-6-3-7-18-14/h1-7,19H,8-10H2,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	417	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-1B adrenergic receptor (Homo sapiens (Human))	BDBM50421600 (CHEMBL156661) Show SMILES C(Nc1ccccc1-c1ncccn1)C1=NCCN1 |t:16| Show InChI InChI=1S/C14H15N5/c1-2-5-12(19-10-13-15-8-9-16-13)11(4-1)14-17-6-3-7-18-14/h1-7,19H,8-10H2,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.19E+3	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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50421600 (CHEMBL156661) Show SMILES C(Nc1ccccc1-c1ncccn1)C1=NCCN1 |t:16| Show InChI InChI=1S/C14H15N5/c1-2-5-12(19-10-13-15-8-9-16-13)11(4-1)14-17-6-3-7-18-14/h1-7,19H,8-10H2,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	81	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