BDBM50073027 8-Chloro-2-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]-ethylamino}-6-methyl-6H-1,6,7,9a-tetraaza-fluoren-5-one::CHEMBL49851

SMILES: Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O

InChI Key: InChIKey=RORFUFVFDXKMOM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50073027   

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))	BDBM50073027 (8-Chloro-2-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...) Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O Show InChI InChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1A adrenergic receptor expressed in CHO cells				J Med Chem 42: 173-7 (1999) Article DOI: 10.1021/jm981006q BindingDB Entry DOI: 10.7270/Q22J6B05
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50073027 (8-Chloro-2-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...) Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O Show InChI InChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1D adrenergic receptor in CHO cells				J Med Chem 42: 173-7 (1999) Article DOI: 10.1021/jm981006q BindingDB Entry DOI: 10.7270/Q22J6B05
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50073027 (8-Chloro-2-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...) Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O Show InChI InChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1B adrenergic receptor in CHO cells				J Med Chem 42: 173-7 (1999) Article DOI: 10.1021/jm981006q BindingDB Entry DOI: 10.7270/Q22J6B05
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50073027 (8-Chloro-2-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...) Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O Show InChI InChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description The compound was tested for binding affinity on [3H]-8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus				J Med Chem 42: 173-7 (1999) Article DOI: 10.1021/jm981006q BindingDB Entry DOI: 10.7270/Q22J6B05
					More data for this Ligand-Target Pair