BDBM50103896 CHEMBL3343975

SMILES: C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12

InChI Key: InChIKey=FGYOUZJTBKNABF-UHFFFAOYSA-N

Data: 8 KI

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 8 hits for monomerid = 50103896   

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))	BDBM50103896 (CHEMBL3343975) Show SMILES C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12 Show InChI InChI=1S/C20H18N4/c1-3-7-17-15(5-1)19(9-11-21-17)23-13-14-24-20-10-12-22-18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,21,23)(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50103896 (CHEMBL3343975) Show SMILES C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12 Show InChI InChI=1S/C20H18N4/c1-3-7-17-15(5-1)19(9-11-21-17)23-13-14-24-20-10-12-22-18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,21,23)(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50103896 (CHEMBL3343975) Show SMILES C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12 Show InChI InChI=1S/C20H18N4/c1-3-7-17-15(5-1)19(9-11-21-17)23-13-14-24-20-10-12-22-18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,21,23)(H,22,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50103896 (CHEMBL3343975) Show SMILES C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12 Show InChI InChI=1S/C20H18N4/c1-3-7-17-15(5-1)19(9-11-21-17)23-13-14-24-20-10-12-22-18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,21,23)(H,22,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50103896 (CHEMBL3343975) Show SMILES C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12 Show InChI InChI=1S/C20H18N4/c1-3-7-17-15(5-1)19(9-11-21-17)23-13-14-24-20-10-12-22-18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,21,23)(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from human alpha1D adrenergic receptor transfected in COS1 cells				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50103896 (CHEMBL3343975) Show SMILES C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12 Show InChI InChI=1S/C20H18N4/c1-3-7-17-15(5-1)19(9-11-21-17)23-13-14-24-20-10-12-22-18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,21,23)(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Binding affinity to human alpha1D adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103896 (CHEMBL3343975) Show SMILES C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12 Show InChI InChI=1S/C20H18N4/c1-3-7-17-15(5-1)19(9-11-21-17)23-13-14-24-20-10-12-22-18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,21,23)(H,22,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor transfected in COS1 cells				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103896 (CHEMBL3343975) Show SMILES C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12 Show InChI InChI=1S/C20H18N4/c1-3-7-17-15(5-1)19(9-11-21-17)23-13-14-24-20-10-12-22-18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,21,23)(H,22,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair