BDBM50103889 CHEMBL3343979

SMILES: Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12

InChI Key: InChIKey=DZTKYUPHGYMDEB-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 = 50103889   

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))	BDBM50103889 (CHEMBL3343979) Show SMILES Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 Show InChI InChI=1S/C22H22N4/c1-15-5-3-7-17-19(9-11-25-21(15)17)23-13-14-24-20-10-12-26-22-16(2)6-4-8-18(20)22/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50103889 (CHEMBL3343979) Show SMILES Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 Show InChI InChI=1S/C22H22N4/c1-15-5-3-7-17-19(9-11-25-21(15)17)23-13-14-24-20-10-12-26-22-16(2)6-4-8-18(20)22/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.40	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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50103889 (CHEMBL3343979) Show SMILES Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 Show InChI InChI=1S/C22H22N4/c1-15-5-3-7-17-19(9-11-25-21(15)17)23-13-14-24-20-10-12-26-22-16(2)6-4-8-18(20)22/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50103889 (CHEMBL3343979) Show SMILES Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 Show InChI InChI=1S/C22H22N4/c1-15-5-3-7-17-19(9-11-25-21(15)17)23-13-14-24-20-10-12-26-22-16(2)6-4-8-18(20)22/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50103889 (CHEMBL3343979) Show SMILES Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 Show InChI InChI=1S/C22H22N4/c1-15-5-3-7-17-19(9-11-25-21(15)17)23-13-14-24-20-10-12-26-22-16(2)6-4-8-18(20)22/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	479	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))	BDBM50103889 (CHEMBL3343979) Show SMILES Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 Show InChI InChI=1S/C22H22N4/c1-15-5-3-7-17-19(9-11-25-21(15)17)23-13-14-24-20-10-12-26-22-16(2)6-4-8-18(20)22/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	479	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))	BDBM50103889 (CHEMBL3343979) Show SMILES Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 Show InChI InChI=1S/C22H22N4/c1-15-5-3-7-17-19(9-11-25-21(15)17)23-13-14-24-20-10-12-26-22-16(2)6-4-8-18(20)22/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.18E+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))	BDBM50103889 (CHEMBL3343979) Show SMILES Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 Show InChI InChI=1S/C22H22N4/c1-15-5-3-7-17-19(9-11-25-21(15)17)23-13-14-24-20-10-12-26-22-16(2)6-4-8-18(20)22/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.18E+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