BDBM50290912 4-(2,4-Dimethyl-phenyl)-piperazine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide; compound with (E)-but-2-enedioic acid::CHEMBL323986

SMILES: COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1

InChI Key: InChIKey=KMAOXOFEECLHEO-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50290912   

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 1B (Homo sapiens (Human))	BDBM50290912 (4-(2,4-Dimethyl-phenyl)-piperazine-1-carboxylic ac...) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1 Show InChI InChI=1S/C25H35N5O2/c1-19-5-7-22(20(2)17-19)28-13-15-30(16-14-28)25(31)26-21-6-8-24(32-4)23(18-21)29-11-9-27(3)10-12-29/h5-8,17-18H,9-16H2,1-4H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for 5-hydroxytryptamine 1B receptor subtype				Bioorg Med Chem Lett 7: 3183-3188 (1997) Article DOI: 10.1016/S0960-894X(97)10164-0 BindingDB Entry DOI: 10.7270/Q23R0SW9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50290912 (4-(2,4-Dimethyl-phenyl)-piperazine-1-carboxylic ac...) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1 Show InChI InChI=1S/C25H35N5O2/c1-19-5-7-22(20(2)17-19)28-13-15-30(16-14-28)25(31)26-21-6-8-24(32-4)23(18-21)29-11-9-27(3)10-12-29/h5-8,17-18H,9-16H2,1-4H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for 5-hydroxytryptamine 1D receptor subtype				Bioorg Med Chem Lett 7: 3183-3188 (1997) Article DOI: 10.1016/S0960-894X(97)10164-0 BindingDB Entry DOI: 10.7270/Q23R0SW9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50290912 (4-(2,4-Dimethyl-phenyl)-piperazine-1-carboxylic ac...) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1 Show InChI InChI=1S/C25H35N5O2/c1-19-5-7-22(20(2)17-19)28-13-15-30(16-14-28)25(31)26-21-6-8-24(32-4)23(18-21)29-11-9-27(3)10-12-29/h5-8,17-18H,9-16H2,1-4H3,(H,26,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	571	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for 5-hydroxytryptamine 1A receptor subtype				Bioorg Med Chem Lett 7: 3183-3188 (1997) Article DOI: 10.1016/S0960-894X(97)10164-0 BindingDB Entry DOI: 10.7270/Q23R0SW9
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50290912 (4-(2,4-Dimethyl-phenyl)-piperazine-1-carboxylic ac...) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1 Show InChI InChI=1S/C25H35N5O2/c1-19-5-7-22(20(2)17-19)28-13-15-30(16-14-28)25(31)26-21-6-8-24(32-4)23(18-21)29-11-9-27(3)10-12-29/h5-8,17-18H,9-16H2,1-4H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor; full agonist				Bioorg Med Chem Lett 7: 3183-3188 (1997) Article DOI: 10.1016/S0960-894X(97)10164-0 BindingDB Entry DOI: 10.7270/Q23R0SW9
					More data for this Ligand-Target Pair