BDBM50410438 CHEMBL196140

SMILES: CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(C)c4C(F)(F)F)c3cc12

InChI Key: InChIKey=RCRXGUGILVHSPG-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 = 50410438   

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))	BDBM50410438 (CHEMBL196140) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(C)c4C(F)(F)F)c3cc12 Show InChI InChI=1S/C22H23F3N6O/c1-28-7-9-30(10-8-28)20-16-12-18-15(11-14(16)3-5-26-20)4-6-31(18)21(32)17-13-27-29(2)19(17)22(23,24)25/h3,5,11-13H,4,6-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50410438 (CHEMBL196140) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(C)c4C(F)(F)F)c3cc12 Show InChI InChI=1S/C22H23F3N6O/c1-28-7-9-30(10-8-28)20-16-12-18-15(11-14(16)3-5-26-20)4-6-31(18)21(32)17-13-27-29(2)19(17)22(23,24)25/h3,5,11-13H,4,6-10H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 1D (Homo sapiens (Human))	BDBM50410438 (CHEMBL196140) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(C)c4C(F)(F)F)c3cc12 Show InChI InChI=1S/C22H23F3N6O/c1-28-7-9-30(10-8-28)20-16-12-18-15(11-14(16)3-5-26-20)4-6-31(18)21(32)17-13-27-29(2)19(17)22(23,24)25/h3,5,11-13H,4,6-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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