BDBM50354091 CHEMBL1836044

SMILES: COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1OC

InChI Key: InChIKey=HKJYGPPOMQQLIZ-HZPDHXFCSA-N

Data: 6 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 6 hits for monomerid = 50354091   

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))	BDBM50354091 (CHEMBL1836044) Show SMILES COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1OC |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C21H26N2O4/c1-25-19-7-3-6-18(20(19)26-2)21(24)22-14-11-15-8-9-16(12-14)23(15)13-17-5-4-10-27-17/h3-7,10,14-16H,8-9,11-13H2,1-2H3,(H,22,24)/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.3	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))	BDBM50354091 (CHEMBL1836044) Show SMILES COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1OC |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C21H26N2O4/c1-25-19-7-3-6-18(20(19)26-2)21(24)22-14-11-15-8-9-16(12-14)23(15)13-17-5-4-10-27-17/h3-7,10,14-16H,8-9,11-13H2,1-2H3,(H,22,24)/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	745	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 2A (Rattus norvegicus (rat))	BDBM50354091 (CHEMBL1836044) Show SMILES COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1OC |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C21H26N2O4/c1-25-19-7-3-6-18(20(19)26-2)21(24)22-14-11-15-8-9-16(12-14)23(15)13-17-5-4-10-27-17/h3-7,10,14-16H,8-9,11-13H2,1-2H3,(H,22,24)/t15-,16-/m1/s1	PDB Reactome pathway 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]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))	BDBM50354091 (CHEMBL1836044) Show SMILES COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1OC |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C21H26N2O4/c1-25-19-7-3-6-18(20(19)26-2)21(24)22-14-11-15-8-9-16(12-14)23(15)13-17-5-4-10-27-17/h3-7,10,14-16H,8-9,11-13H2,1-2H3,(H,22,24)/t15-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354091 (CHEMBL1836044) Show SMILES COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1OC |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C21H26N2O4/c1-25-19-7-3-6-18(20(19)26-2)21(24)22-14-11-15-8-9-16(12-14)23(15)13-17-5-4-10-27-17/h3-7,10,14-16H,8-9,11-13H2,1-2H3,(H,22,24)/t15-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50354091 (CHEMBL1836044) Show SMILES COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1OC |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C21H26N2O4/c1-25-19-7-3-6-18(20(19)26-2)21(24)22-14-11-15-8-9-16(12-14)23(15)13-17-5-4-10-27-17/h3-7,10,14-16H,8-9,11-13H2,1-2H3,(H,22,24)/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	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