BDBM50354105 CHEMBL1836110

SMILES: COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccncc2)c1OC

InChI Key: InChIKey=YQAAQEWGUXUHKQ-QZTJIDSGSA-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 = 50354105   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50354105 (CHEMBL1836110) Show SMILES COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccncc2)c1OC |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C22H27N3O3/c1-27-20-5-3-4-19(21(20)28-2)22(26)24-16-12-17-6-7-18(13-16)25(17)14-15-8-10-23-11-9-15/h3-5,8-11,16-18H,6-7,12-14H2,1-2H3,(H,24,26)/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat straitum tissue after 20 mins by scintillation counting				Eur J Med Chem 46: 4474-88 (2011) Article DOI: 10.1016/j.ejmech.2011.07.022 BindingDB Entry DOI: 10.7270/Q2Z0395D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50354105 (CHEMBL1836110) Show SMILES COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccncc2)c1OC |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C22H27N3O3/c1-27-20-5-3-4-19(21(20)28-2)22(26)24-16-12-17-6-7-18(13-16)25(17)14-15-8-10-23-11-9-15/h3-5,8-11,16-18H,6-7,12-14H2,1-2H3,(H,24,26)/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A in rat brain cerebral cortex after 20 mins by scintillation counting				Eur J Med Chem 46: 4474-88 (2011) Article DOI: 10.1016/j.ejmech.2011.07.022 BindingDB Entry DOI: 10.7270/Q2Z0395D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354105 (CHEMBL1836110) Show SMILES COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccncc2)c1OC |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C22H27N3O3/c1-27-20-5-3-4-19(21(20)28-2)22(26)24-16-12-17-6-7-18(13-16)25(17)14-15-8-10-23-11-9-15/h3-5,8-11,16-18H,6-7,12-14H2,1-2H3,(H,24,26)/t17-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8OH-DPAT from 5HT1A in rat brain cerebral cortex after 15 mins by scintillation counting				Eur J Med Chem 46: 4474-88 (2011) Article DOI: 10.1016/j.ejmech.2011.07.022 BindingDB Entry DOI: 10.7270/Q2Z0395D
					More data for this Ligand-Target Pair