BDBM50212607 CHEMBL57330

SMILES: CCCN(CCCCNC(=O)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34)C1COc2cccc(OC)c2C1

InChI Key: InChIKey=GEDMTUQQRHRNSK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50212607   

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 1A (Homo sapiens (Human))	BDBM50212607 (CHEMBL57330) Show SMILES CCCN(CCCCNC(=O)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C33H41N3O5/c1-3-14-35(23-19-27-28(39-2)11-6-12-29(27)40-21-23)15-5-4-13-34-33(38)26-20-30(37)41-32-24-10-8-17-36-16-7-9-22(31(24)36)18-25(26)32/h6,11-12,18,20,23H,3-5,7-10,13-17,19,21H2,1-2H3,(H,34,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The compound was evaluated for its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in cellular brain membranes				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2X8F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50212607 (CHEMBL57330) Show SMILES CCCN(CCCCNC(=O)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C33H41N3O5/c1-3-14-35(23-19-27-28(39-2)11-6-12-29(27)40-21-23)15-5-4-13-34-33(38)26-20-30(37)41-32-24-10-8-17-36-16-7-9-22(31(24)36)18-25(26)32/h6,11-12,18,20,23H,3-5,7-10,13-17,19,21H2,1-2H3,(H,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The compound was evaluated for its ability to displace [3H]5-HT from 5-hydroxytryptamine 1B receptor in cellular brain membranes				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2X8F
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50212607 (CHEMBL57330) Show SMILES CCCN(CCCCNC(=O)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C33H41N3O5/c1-3-14-35(23-19-27-28(39-2)11-6-12-29(27)40-21-23)15-5-4-13-34-33(38)26-20-30(37)41-32-24-10-8-17-36-16-7-9-22(31(24)36)18-25(26)32/h6,11-12,18,20,23H,3-5,7-10,13-17,19,21H2,1-2H3,(H,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The compound was evaluated for its ability to displace [3H]ketanserin from 5-hydroxytryptamine 2 receptor in cellular brain membranes				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2X8F
					More data for this Ligand-Target Pair