BDBM50341076 (3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxybenzyl)piperazin-1-yl)methanone::CHEMBL1760339

SMILES: COc1ccccc1CN1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1

InChI Key: InChIKey=UUOUKHVFSLUAIM-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 5 hits for monomerid = 50341076   

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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50341076 ((3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyb...) Show SMILES COc1ccccc1CN1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN4O2/c1-29-21-5-3-2-4-17(21)15-26-10-12-27(13-11-26)22(28)20-14-19(24-25-20)16-6-8-18(23)9-7-16/h2-9,14H,10-13,15H2,1H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 1991-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.033 BindingDB Entry DOI: 10.7270/Q2B56K16
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50341076 ((3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyb...) Show SMILES COc1ccccc1CN1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN4O2/c1-29-21-5-3-2-4-17(21)15-26-10-12-27(13-11-26)22(28)20-14-19(24-25-20)16-6-8-18(23)9-7-16/h2-9,14H,10-13,15H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Binding affinity to human NK1 receptor				Bioorg Med Chem Lett 21: 1991-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.033 BindingDB Entry DOI: 10.7270/Q2B56K16
					More data for this Ligand-Target Pair
Neurokinin 3 receptor (Rattus norvegicus)	BDBM50341076 ((3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyb...) Show SMILES COc1ccccc1CN1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN4O2/c1-29-21-5-3-2-4-17(21)15-26-10-12-27(13-11-26)22(28)20-14-19(24-25-20)16-6-8-18(23)9-7-16/h2-9,14H,10-13,15H2,1H3,(H,24,25)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Binding affinity to rat NK3 receptor				Bioorg Med Chem Lett 21: 1991-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.033 BindingDB Entry DOI: 10.7270/Q2B56K16
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50341076 ((3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyb...) Show SMILES COc1ccccc1CN1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN4O2/c1-29-21-5-3-2-4-17(21)15-26-10-12-27(13-11-26)22(28)20-14-19(24-25-20)16-6-8-18(23)9-7-16/h2-9,14H,10-13,15H2,1H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Binding affinity to human NK2 receptor				Bioorg Med Chem Lett 21: 1991-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.033 BindingDB Entry DOI: 10.7270/Q2B56K16
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50341076 ((3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyb...) Show SMILES COc1ccccc1CN1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN4O2/c1-29-21-5-3-2-4-17(21)15-26-10-12-27(13-11-26)22(28)20-14-19(24-25-20)16-6-8-18(23)9-7-16/h2-9,14H,10-13,15H2,1H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium ...				Bioorg Med Chem Lett 21: 1991-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.033 BindingDB Entry DOI: 10.7270/Q2B56K16
					More data for this Ligand-Target Pair