BDBM50421580 CHEMBL117248

SMILES: CSc1ccccc1NCC1=NCCN1

InChI Key: InChIKey=YGIWTZGEYHABOR-UHFFFAOYSA-N

Data: 6 KI  3 IC50  8 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 17 hits for monomerid = 50421580   

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
Adrenergic receptor (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-1D adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to Alpha-1 adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-2A adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-1B adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-2C adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-2B adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	19	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
Adrenergic receptor (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.90	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at Alpha-1D adrenergic receptor assayed in rat-1 fibroblasts				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at alpha-1b adrenoceptors assayed in rat-1 fibroblasts expressing human alpha-1b				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.60	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at Alpha-2C adrenergic receptor expressed in CHO cells				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	219	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-2A adrenergic receptor (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at Alpha-2A adrenergic receptor assayed in CHO cells expressing human alpha 2a				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.60	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at Alpha-1A adrenoceptors assayed in rat-1 fibroblasts expressing human Alpha-1A				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d) (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	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	7.90	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
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2	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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	107	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-1A adrenergic receptor (Homo sapiens (Human))	BDBM50421580 (CHEMBL117248) Show SMILES CSc1ccccc1NCC1=NCCN1 |t:11| Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt 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 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