BDBM50101662 5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2,6-dimethyl-2H-pyridazin-3-one::CHEMBL77901

SMILES: COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1

InChI Key: InChIKey=JTNOVHSABZCNCD-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 = 50101662   

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))	BDBM50101662 (5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...) Show SMILES COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 Show InChI InChI=1S/C21H29N5O3/c1-15-19(16(2)27)20(21(28)24(3)23-15)22-9-10-25-11-13-26(14-12-25)17-7-5-6-8-18(17)29-4/h5-8,22H,9-14H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50101662 (5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...) Show SMILES COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 Show InChI InChI=1S/C21H29N5O3/c1-15-19(16(2)27)20(21(28)24(3)23-15)22-9-10-25-11-13-26(14-12-25)17-7-5-6-8-18(17)29-4/h5-8,22H,9-14H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50101662 (5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...) Show SMILES COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 Show InChI InChI=1S/C21H29N5O3/c1-15-19(16(2)27)20(21(28)24(3)23-15)22-9-10-25-11-13-26(14-12-25)17-7-5-6-8-18(17)29-4/h5-8,22H,9-14H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50101662 (5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...) Show SMILES COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 Show InChI InChI=1S/C21H29N5O3/c1-15-19(16(2)27)20(21(28)24(3)23-15)22-9-10-25-11-13-26(14-12-25)17-7-5-6-8-18(17)29-4/h5-8,22H,9-14H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair