BDBM50410441 CHEMBL197169

SMILES: CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4oc(C)nc4C)c3cc12

InChI Key: InChIKey=DNASOPMPZKFRCW-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 = 50410441   

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 1D (Homo sapiens (Human))	BDBM50410441 (CHEMBL197169) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4oc(C)nc4C)c3cc12 Show InChI InChI=1S/C22H25N5O2/c1-14-20(29-15(2)24-14)22(28)27-7-5-17-12-16-4-6-23-21(18(16)13-19(17)27)26-10-8-25(3)9-11-26/h4,6,12-13H,5,7-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50410441 (CHEMBL197169) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4oc(C)nc4C)c3cc12 Show InChI InChI=1S/C22H25N5O2/c1-14-20(29-15(2)24-14)22(28)27-7-5-17-12-16-4-6-23-21(18(16)13-19(17)27)26-10-8-25(3)9-11-26/h4,6,12-13H,5,7-11H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50410441 (CHEMBL197169) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4oc(C)nc4C)c3cc12 Show InChI InChI=1S/C22H25N5O2/c1-14-20(29-15(2)24-14)22(28)27-7-5-17-12-16-4-6-23-21(18(16)13-19(17)27)26-10-8-25(3)9-11-26/h4,6,12-13H,5,7-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair