BDBM50092543 4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyrimidin-2-yl-piperazin-1-yl)-ethyl ester::CHEMBL121913

SMILES: COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ncccn1

InChI Key: InChIKey=QZWGOZASIAHHGS-UHFFFAOYSA-N

Data: 5 KI  1 Kd  2 EC50

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 = 50092543   

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
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50092543 (4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyrim...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C18H22ClN5O3/c1-26-16-12-15(20)14(19)11-13(16)17(25)27-10-9-23-5-7-24(8-6-23)18-21-3-2-4-22-18/h2-4,11-12H,5-10,20H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity was determined against cloned 5-hydroxytryptamine 4E receptor isoform expressed in C6 glial cells incubated with 0.2 nM [3H]-GR-113,...				J Med Chem 43: 3761-9 (2000) BindingDB Entry DOI: 10.7270/Q2CC0ZXH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50092543 (4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyrim...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C18H22ClN5O3/c1-26-16-12-15(20)14(19)11-13(16)17(25)27-10-9-23-5-7-24(8-6-23)18-21-3-2-4-22-18/h2-4,11-12H,5-10,20H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity was determined against cloned 5-hydroxytryptamine 4C receptor isoform expressed in COS-7 cells				J Med Chem 43: 3761-9 (2000) BindingDB Entry DOI: 10.7270/Q2CC0ZXH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50092543 (4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyrim...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C18H22ClN5O3/c1-26-16-12-15(20)14(19)11-13(16)17(25)27-10-9-23-5-7-24(8-6-23)18-21-3-2-4-22-18/h2-4,11-12H,5-10,20H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity was determined against cloned 5-hydroxytryptamine 4A receptor isoform expressed in COS-7 cells				J Med Chem 43: 3761-9 (2000) BindingDB Entry DOI: 10.7270/Q2CC0ZXH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50092543 (4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyrim...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C18H22ClN5O3/c1-26-16-12-15(20)14(19)11-13(16)17(25)27-10-9-23-5-7-24(8-6-23)18-21-3-2-4-22-18/h2-4,11-12H,5-10,20H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity was determined against cloned 5-hydroxytryptamine 4D receptor isoform expressed in COS-7 cells				J Med Chem 43: 3761-9 (2000) BindingDB Entry DOI: 10.7270/Q2CC0ZXH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50092543 (4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyrim...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C18H22ClN5O3/c1-26-16-12-15(20)14(19)11-13(16)17(25)27-10-9-23-5-7-24(8-6-23)18-21-3-2-4-22-18/h2-4,11-12H,5-10,20H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity was determined against cloned 5-hydroxytryptamine 4B receptor isoform expressed in COS-7 cells				J Med Chem 43: 3761-9 (2000) BindingDB Entry DOI: 10.7270/Q2CC0ZXH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50092543 (4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyrim...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C18H22ClN5O3/c1-26-16-12-15(20)14(19)11-13(16)17(25)27-10-9-23-5-7-24(8-6-23)18-21-3-2-4-22-18/h2-4,11-12H,5-10,20H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.5	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Concentration required to produce half-maximal response against 5-hydroxytryptamine receptor on the L-type calcium current (I Ca) in isolated human a...				J Med Chem 43: 3761-9 (2000) BindingDB Entry DOI: 10.7270/Q2CC0ZXH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50092543 (4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyrim...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C18H22ClN5O3/c1-26-16-12-15(20)14(19)11-13(16)17(25)27-10-9-23-5-7-24(8-6-23)18-21-3-2-4-22-18/h2-4,11-12H,5-10,20H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description ,Antagonism of stimulation of 5-hydroxytryptamine receptor on the L-type calcium current (I Ca) in isolated human atrial myocytes				J Med Chem 43: 3761-9 (2000) BindingDB Entry DOI: 10.7270/Q2CC0ZXH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50092543 (4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyrim...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C18H22ClN5O3/c1-26-16-12-15(20)14(19)11-13(16)17(25)27-10-9-23-5-7-24(8-6-23)18-21-3-2-4-22-18/h2-4,11-12H,5-10,20H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	66	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Concentration required to produce half-maximal response against 5-hydroxytryptamine receptor in the presence of 10 nM compound in isolated human atri...				J Med Chem 43: 3761-9 (2000) BindingDB Entry DOI: 10.7270/Q2CC0ZXH
					More data for this Ligand-Target Pair