BDBM50469881 CHEMBL311150

SMILES: COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(=O)N(C)C)cc1N1CCN(C)CC1

InChI Key: InChIKey=DGLGRPPFBPHHJR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50469881   

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
Serotonin 1d (5-HT1d) receptor (GUINEA PIG)	BDBM50469881 (CHEMBL311150) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(=O)N(C)C)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H34N4O3/c1-20-18-23(29(35)31(2)3)10-12-25(20)21-6-8-22(9-7-21)28(34)30-24-11-13-27(36-5)26(19-24)33-16-14-32(4)15-17-33/h6-13,18-19H,14-17H2,1-5H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity towards 5-hydroxytryptamine 1D receptor in guinea-pig striatum in presence of BMY-7378 and mesulergine				J Med Chem 37: 2253-7 (1994) Article DOI: 10.1021/jm00041a001 BindingDB Entry DOI: 10.7270/Q29889QB
					More data for this Ligand-Target Pair
Serotonin 1B/1D receptor (Rattus norvegicus (Rat))	BDBM50469881 (CHEMBL311150) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(=O)N(C)C)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H34N4O3/c1-20-18-23(29(35)31(2)3)10-12-25(20)21-6-8-22(9-7-21)28(34)30-24-11-13-27(36-5)26(19-24)33-16-14-32(4)15-17-33/h6-13,18-19H,14-17H2,1-5H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity towards 5-hydroxytryptamine 1B receptor in rat striatal membrane with [125I]- iodocyanopindolol				J Med Chem 37: 2253-7 (1994) Article DOI: 10.1021/jm00041a001 BindingDB Entry DOI: 10.7270/Q29889QB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50469881 (CHEMBL311150) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(=O)N(C)C)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H34N4O3/c1-20-18-23(29(35)31(2)3)10-12-25(20)21-6-8-22(9-7-21)28(34)30-24-11-13-27(36-5)26(19-24)33-16-14-32(4)15-17-33/h6-13,18-19H,14-17H2,1-5H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus using [3H]8-OH-DPAT				J Med Chem 37: 2253-7 (1994) Article DOI: 10.1021/jm00041a001 BindingDB Entry DOI: 10.7270/Q29889QB
					More data for this Ligand-Target Pair