BDBM50010586 (+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol::(-)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol::(4aR,10aR)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol::(Racemic)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol::(trans)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol (PD 128907)::1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol::CHEMBL70565::PD 128,907

SMILES: CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21

InChI Key: InChIKey=YOILXOMTHPUMRG-TZMCWYRMSA-N

Data: 13 KI  4 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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 19 hits for monomerid = 50010586   

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))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D3 receptor expressed in HEK293 cell membranes measured after 90 mins by microbeta scin...				J Med Chem 62: 6287-6314 (2019) Article DOI: 10.1021/acs.jmedchem.9b00702
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Croissy-sur-Seine Paris Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 361: 569-72 (2000) Article DOI: 10.1007/s002100000217 BindingDB Entry DOI: 10.7270/Q2GB22M2
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Croissy-sur-Seine Paris Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 361: 569-72 (2000) Article DOI: 10.1007/s002100000217 BindingDB Entry DOI: 10.7270/Q2GB22M2
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	7.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Croissy-sur-Seine Paris Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 361: 569-72 (2000) Article DOI: 10.1007/s002100000217 BindingDB Entry DOI: 10.7270/Q2GB22M2
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D2L receptor expressed in HEK293 cell membranes measured after 90 mins by microbeta sci...				J Med Chem 62: 6287-6314 (2019) Article DOI: 10.1021/acs.jmedchem.9b00702
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D4.4 receptor expressed in HEK293 cell membranes measured after 90 mins by microbeta sc...				J Med Chem 62: 6287-6314 (2019) Article DOI: 10.1021/acs.jmedchem.9b00702
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	42	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]N-0437 as radioligand				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	78	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				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	78	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				3D Structure (crystal)
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	169	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 D4 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))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	1.18E+3	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 D2L 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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	1.67E+3	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 binding affinity by measuring displacement of [3H]8-OH-DPAT from rat serotonin 5-hydroxytryptamine 1A receptor in rat hippocampus				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))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	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 D2L 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 (Rattus norvegicus (rat))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.07E+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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Concentration of the compound inhibiting specific binding of [3H]-haloperidol to Dopamine receptor D2 from rat striatal brain.				J Med Chem 33: 445-50 (1990) BindingDB Entry DOI: 10.7270/Q2BK1B94
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	5.70	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Agonist activity by measuring the [3H]thymidine uptake against Dopamine receptor D2L from rat				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Concentration of the compound inhibiting specific binding of [3H]-haloperidol to Dopamine receptor D2 from rat striatal brain.				J Med Chem 33: 445-50 (1990) BindingDB Entry DOI: 10.7270/Q2BK1B94
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	409	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Affinity of the compound for [3H]-N-propylnorapomorphine (NPA) Dopamine receptor D2				J Med Chem 33: 445-50 (1990) BindingDB Entry DOI: 10.7270/Q2BK1B94
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	0.360	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Agonist activity by measuring the [3H]-thymidine uptake against Dopamine receptor D3 from rat				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair