BDBM50020217 (4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol::3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-hydroxy-6-methoxy-benzamide::4-Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol::CHEMBL69271::NAXAGOLIDE HYDROCHLORIDE::PHNO::PHNO,(+)

SMILES: CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21

InChI Key: InChIKey=JCSREICEMHWFAY-HUUCEWRRSA-N

Data: 17 KI  1 IC50

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 18 hits for monomerid = 50020217   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) Article DOI: 10.1016/j.bioorg.2015.06.003 BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Agonistic activity at DRD3 receptor				Bioorg Med Chem Lett 19: 5056-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.055 BindingDB Entry DOI: 10.7270/Q2PR7X7C
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...				J Med Chem 57: 391-410 (2014) Article DOI: 10.1021/jm401384w BindingDB Entry DOI: 10.7270/Q2WS8VQD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...				J Med Chem 57: 391-410 (2014) Article DOI: 10.1021/jm401384w BindingDB Entry DOI: 10.7270/Q2WS8VQD
					More data for this Ligand-Target Pair
DRD2 (CANINE)	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Nature 350: 610-4 (1991) Article DOI: 10.1038/350610a0 BindingDB Entry DOI: 10.7270/Q24T6GVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity to high-affinity state of D2L receptor (unknown origin)				J Med Chem 57: 391-410 (2014) Article DOI: 10.1021/jm401384w BindingDB Entry DOI: 10.7270/Q2WS8VQD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Human Dopamine receptor D2L affinities to determine agonist activity, using [3H]spip as radioligand				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Agonistic activity at DRD2 receptor				Bioorg Med Chem Lett 19: 5056-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.055 BindingDB Entry DOI: 10.7270/Q2PR7X7C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) Article DOI: 10.1016/j.bioorg.2015.06.003 BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...				J Med Chem 57: 391-410 (2014) Article DOI: 10.1021/jm401384w BindingDB Entry DOI: 10.7270/Q2WS8VQD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...				J Med Chem 57: 391-410 (2014) Article DOI: 10.1021/jm401384w BindingDB Entry DOI: 10.7270/Q2WS8VQD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...				J Med Chem 57: 391-410 (2014) Article DOI: 10.1021/jm401384w BindingDB Entry DOI: 10.7270/Q2WS8VQD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...				J Med Chem 57: 391-410 (2014) Article DOI: 10.1021/jm401384w BindingDB Entry DOI: 10.7270/Q2WS8VQD
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
DRD2 (CANINE)	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Nature 350: 610-4 (1991) Article DOI: 10.1038/350610a0 BindingDB Entry DOI: 10.7270/Q24T6GVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	147	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
State University of Groningen Curated by ChEMBL					Assay Description Potency to displace the specific in vitro binding of [3H]DP-5,6-ADTN to rat striatal membrane				J Med Chem 31: 2178-82 (1988) BindingDB Entry DOI: 10.7270/Q22R3S82
					More data for this Ligand-Target Pair