BDBM125049 US8772511, 6::US9714242, 6

SMILES: O=C(Nc1cccc(c1)C#N)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2

InChI Key: InChIKey=QNQOVTZANISRRO-FQEVSTJZSA-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 = 125049   

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
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM125049 (US8772511, 6 | US9714242, 6) Show SMILES O=C(Nc1cccc(c1)C#N)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(2.19,-.67,;2.96,.67,;4.5,.67,;5.27,-.67,;4.5,-2,;5.27,-3.33,;6.81,-3.33,;7.64,-2,;6.81,-.67,;9.18,-2,;10.72,-2,;2.19,2,;.65,2,;-.12,3.33,;-1.66,3.33,;-2.43,2,;-3.93,1.68,;-4.1,.15,;-2.69,-.48,;-1.66,.67,;-.12,.67,;-5.43,-.62,;-5.43,-2.16,;-6.76,.15,;-8.1,-.62,;-8.1,-2.16,;-9.43,-2.93,;-10.76,-2.16,;-10.76,-.62,;-9.43,.15,;-8.66,-1.18,;-10.15,-1.58,)| Show InChI InChI=1S/C24H23N5O2S/c25-13-15-2-1-3-18(10-15)26-24(31)27-19-5-4-17-11-22(32-21(17)12-19)23(30)28-20-14-29-8-6-16(20)7-9-29/h1-5,10-12,16,20H,6-9,14H2,(H,28,30)(H2,26,27,31)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.90	-10.3	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...				US Patent US8772511 (2014) BindingDB Entry DOI: 10.7270/Q2GQ6WF2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM125049 (US8772511, 6 | US9714242, 6) Show SMILES O=C(Nc1cccc(c1)C#N)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(2.19,-.67,;2.96,.67,;4.5,.67,;5.27,-.67,;4.5,-2,;5.27,-3.33,;6.81,-3.33,;7.64,-2,;6.81,-.67,;9.18,-2,;10.72,-2,;2.19,2,;.65,2,;-.12,3.33,;-1.66,3.33,;-2.43,2,;-3.93,1.68,;-4.1,.15,;-2.69,-.48,;-1.66,.67,;-.12,.67,;-5.43,-.62,;-5.43,-2.16,;-6.76,.15,;-8.1,-.62,;-8.1,-2.16,;-9.43,-2.93,;-10.76,-2.16,;-10.76,-.62,;-9.43,.15,;-8.66,-1.18,;-10.15,-1.58,)| Show InChI InChI=1S/C24H23N5O2S/c25-13-15-2-1-3-18(10-15)26-24(31)27-19-5-4-17-11-22(32-21(17)12-19)23(30)28-20-14-29-8-6-16(20)7-9-29/h1-5,10-12,16,20H,6-9,14H2,(H,28,30)(H2,26,27,31)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.90	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol, 1999, 38, 679-690.Rat brain t...				US Patent US9714242 (2017) BindingDB Entry DOI: 10.7270/Q2M61N83
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM125049 (US8772511, 6 | US9714242, 6) Show SMILES O=C(Nc1cccc(c1)C#N)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(2.19,-.67,;2.96,.67,;4.5,.67,;5.27,-.67,;4.5,-2,;5.27,-3.33,;6.81,-3.33,;7.64,-2,;6.81,-.67,;9.18,-2,;10.72,-2,;2.19,2,;.65,2,;-.12,3.33,;-1.66,3.33,;-2.43,2,;-3.93,1.68,;-4.1,.15,;-2.69,-.48,;-1.66,.67,;-.12,.67,;-5.43,-.62,;-5.43,-2.16,;-6.76,.15,;-8.1,-.62,;-8.1,-2.16,;-9.43,-2.93,;-10.76,-2.16,;-10.76,-.62,;-9.43,.15,;-8.66,-1.18,;-10.15,-1.58,)| Show InChI InChI=1S/C24H23N5O2S/c25-13-15-2-1-3-18(10-15)26-24(31)27-19-5-4-17-11-22(32-21(17)12-19)23(30)28-20-14-29-8-6-16(20)7-9-29/h1-5,10-12,16,20H,6-9,14H2,(H,28,30)(H2,26,27,31)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Membranes from HEK293 cells which express recombinant human 5-HT3 receptor (RB-HS3, Receptor Biology, Inc., MD, USA) are diluted in accordance with t...				US Patent US9714242 (2017) BindingDB Entry DOI: 10.7270/Q2M61N83
					More data for this Ligand-Target Pair