BDBM50070564 5-Chloro-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide::CHEMBL432284

SMILES: CCN1CCN(C)C[C@@H](C1)NC(=O)c1cc(Cl)c(NC)nc1OC

InChI Key: InChIKey=UXEPXLWCTJUUTO-NSHDSACASA-N

Data: 4 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 4 hits for monomerid = 50070564   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50070564 (5-Chloro-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-y...) Show SMILES CCN1CCN(C)C[C@@H](C1)NC(=O)c1cc(Cl)c(NC)nc1OC Show InChI InChI=1S/C16H26ClN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)12-8-13(17)14(18-2)20-16(12)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]- spiperone binding to rat brain Dopamine receptor D2				Bioorg Med Chem Lett 8: 1551-4 (1999) BindingDB Entry DOI: 10.7270/Q2CF9P7B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50070564 (5-Chloro-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-y...) Show SMILES CCN1CCN(C)C[C@@H](C1)NC(=O)c1cc(Cl)c(NC)nc1OC Show InChI InChI=1S/C16H26ClN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)12-8-13(17)14(18-2)20-16(12)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]- GR 65630 binding to rat cortical membrane 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 8: 1551-4 (1999) BindingDB Entry DOI: 10.7270/Q2CF9P7B
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50070564 (5-Chloro-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-y...) Show SMILES CCN1CCN(C)C[C@@H](C1)NC(=O)c1cc(Cl)c(NC)nc1OC Show InChI InChI=1S/C16H26ClN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)12-8-13(17)14(18-2)20-16(12)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of the binding of radioligand [3H]spiperone to dopamine receptor D2 in rat brain synaptic membrane				J Med Chem 46: 702-15 (2003) Article DOI: 10.1021/jm020270n BindingDB Entry DOI: 10.7270/Q25H7H06
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50070564 (5-Chloro-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-y...) Show SMILES CCN1CCN(C)C[C@@H](C1)NC(=O)c1cc(Cl)c(NC)nc1OC Show InChI InChI=1S/C16H26ClN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)12-8-13(17)14(18-2)20-16(12)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Concentration required to inhibit the binding of radioligand [3H]GR-65630 to serotonin 5-hydroxytryptamine-3 receptor (5-HT 3 receptor)in rat brain c...				J Med Chem 46: 702-15 (2003) Article DOI: 10.1021/jm020270n BindingDB Entry DOI: 10.7270/Q25H7H06
					More data for this Ligand-Target Pair