BDBM50101655 5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one::CHEMBL77618

SMILES: COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1

InChI Key: InChIKey=NRYJUVLALBJESR-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 = 50101655   

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))	BDBM50101655 (5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piper...) Show SMILES COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C27H32ClN5O3/c1-19(34)24-25(20-8-5-4-6-9-20)30-31(2)27(35)26(24)29-12-7-13-32-14-16-33(17-15-32)22-18-21(28)10-11-23(22)36-3/h4-6,8-11,18,29H,7,12-17H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.440	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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50101655 (5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piper...) Show SMILES COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C27H32ClN5O3/c1-19(34)24-25(20-8-5-4-6-9-20)30-31(2)27(35)26(24)29-12-7-13-32-14-16-33(17-15-32)22-18-21(28)10-11-23(22)36-3/h4-6,8-11,18,29H,7,12-17H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.44	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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50101655 (5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piper...) Show SMILES COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C27H32ClN5O3/c1-19(34)24-25(20-8-5-4-6-9-20)30-31(2)27(35)26(24)29-12-7-13-32-14-16-33(17-15-32)22-18-21(28)10-11-23(22)36-3/h4-6,8-11,18,29H,7,12-17H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.92	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))	BDBM50101655 (5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piper...) Show SMILES COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C27H32ClN5O3/c1-19(34)24-25(20-8-5-4-6-9-20)30-31(2)27(35)26(24)29-12-7-13-32-14-16-33(17-15-32)22-18-21(28)10-11-23(22)36-3/h4-6,8-11,18,29H,7,12-17H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	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