BDBM50495568 CHEMBL3113603

SMILES: COc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ncccc2-c2ccncc2)cc1

InChI Key: InChIKey=CWIFGIQTYBBWKF-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 = 50495568   

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 7 (Homo sapiens (Human))	BDBM50495568 (CHEMBL3113603) Show SMILES COc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ncccc2-c2ccncc2)cc1 Show InChI InChI=1S/C28H35N5O2/c1-35-25-10-8-23(9-11-25)22-31-27(34)7-3-2-4-17-32-18-20-33(21-19-32)28-26(6-5-14-30-28)24-12-15-29-16-13-24/h5-6,8-16H,2-4,7,17-22H2,1H3,(H,31,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari A. Moro Curated by ChEMBL					Assay Description Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins				Bioorg Med Chem 22: 1736-50 (2014) Article DOI: 10.1016/j.bmc.2014.01.016 BindingDB Entry DOI: 10.7270/Q2JW8HV0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50495568 (CHEMBL3113603) Show SMILES COc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ncccc2-c2ccncc2)cc1 Show InChI InChI=1S/C28H35N5O2/c1-35-25-10-8-23(9-11-25)22-31-27(34)7-3-2-4-17-32-18-20-33(21-19-32)28-26(6-5-14-30-28)24-12-15-29-16-13-24/h5-6,8-16H,2-4,7,17-22H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	614	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari A. Moro Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor transfected in HEK293-EBNA cells after 120 mins				Bioorg Med Chem 22: 1736-50 (2014) Article DOI: 10.1016/j.bmc.2014.01.016 BindingDB Entry DOI: 10.7270/Q2JW8HV0
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50495568 (CHEMBL3113603) Show SMILES COc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ncccc2-c2ccncc2)cc1 Show InChI InChI=1S/C28H35N5O2/c1-35-25-10-8-23(9-11-25)22-31-27(34)7-3-2-4-17-32-18-20-33(21-19-32)28-26(6-5-14-30-28)24-12-15-29-16-13-24/h5-6,8-16H,2-4,7,17-22H2,1H3,(H,31,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	816	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari A. Moro Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from rat brain alpha1 adrenergic receptor after 50 mins				Bioorg Med Chem 22: 1736-50 (2014) Article DOI: 10.1016/j.bmc.2014.01.016 BindingDB Entry DOI: 10.7270/Q2JW8HV0
					More data for this Ligand-Target Pair