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29 similar compounds to monomer 82247

Wt: 305.7
BDBM60917
Purchase
Wt: 287.7
BDBM82248
Purchase
Wt: 317.8
BDBM86268
Wt: 317.8
BDBM86276
Wt: 289.7
BDBM86282
Purchase
Wt: 287.7
BDBM86180
Wt: 313.8
BDBM50004792
Wt: 273.7
BDBM50004796
Wt: 303.7
BDBM50007702
Wt: 301.8
BDBM50010707
Wt: 301.8
BDBM50010716
Wt: 301.8
BDBM50010717
Wt: 413.6
BDBM50016794
Wt: 386.9
BDBM50029337
Wt: 329.8
BDBM50029338
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 94 hits for monomerid = 60917,82248,86268,86276,86282,86180,50004792,50004796,50007702,50010707,50010716,50010717,50016794,50029337,50029338   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
DOPAMINE


(RAT)
BDBM86180
PNG
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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PubMed
0.120n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86180
PNG
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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PubMed
0.320n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010707
PNG
(8-Chloro-3-methyl-5-m-tolyl-2,3,4,5-tetrahydro-1H-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1cccc(C)c1
Show InChI InChI=1S/C18H20ClNO/c1-12-4-3-5-13(8-12)16-11-20(2)7-6-14-9-17(19)18(21)10-15(14)16/h3-5,8-10,16,21H,6-7,11H2,1-2H3/t16-/m1/s1
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PubMed
0.400n/an/an/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]- SCH 23390 against Dopamine receptor D1


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86276
PNG
(CAS_0 | MCL-207 | NSC_0)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1C
Show InChI InChI=1S/C18H20ClNO2/c1-11-5-3-4-6-12(11)15-10-20(2)8-7-13-14(15)9-16(21)18(22)17(13)19/h3-6,9,15,21-22H,7-8,10H2,1-2H3
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0.460n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86180
PNG
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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PubMed
0.690n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010717
PNG
(8-Chloro-3-methyl-5-o-tolyl-2,3,4,5-tetrahydro-1H-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1C
Show InChI InChI=1S/C18H20ClNO/c1-12-5-3-4-6-14(12)16-11-20(2)8-7-13-9-17(19)18(21)10-15(13)16/h3-6,9-10,16,21H,7-8,11H2,1-2H3/t16-/m1/s1
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PubMed
0.800n/an/an/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]- SCH 23390 against Dopamine receptor D1


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50007702
PNG
(6-Chloro-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO2/c1-19-8-7-12-13(9-15(20)17(21)16(12)18)14(10-19)11-5-3-2-4-6-11/h2-6,9,14,20-21H,7-8,10H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at dopamine receptor D1


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM86180
PNG
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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1n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50004792
PNG
(3-Allyl-8-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C19H20ClNO/c1-2-9-21-10-8-15-11-18(20)19(22)12-16(15)17(13-21)14-6-4-3-5-7-14/h2-7,11-12,17,22H,1,8-10,13H2
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1.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(RAT)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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1.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Dopamine receptor D1 in rat striatal membranes using [3H]SCH-23390


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM86180
PNG
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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US Patent
1.24n/a 2.52n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010716
PNG
(8-Chloro-3-methyl-5-p-tolyl-2,3,4,5-tetrahydro-1H-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(C)cc1
Show InChI InChI=1S/C18H20ClNO/c1-12-3-5-13(6-4-12)16-11-20(2)8-7-14-9-17(19)18(21)10-15(14)16/h3-6,9-10,16,21H,7-8,11H2,1-2H3/t16-/m1/s1
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PubMed
1.60n/an/an/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]- SCH 23390 against Dopamine receptor D1


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM86180
PNG
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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Article
PubMed
1.69n/an/an/an/an/an/an/an/a



Fudan University



Assay Description
The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...


Chem Biol Drug Des 88: 599-607 (2016)

More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50016794
PNG
(8-Chloro-5-(4-iodo-phenyl)-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccc(I)cc1
Show InChI InChI=1S/C17H17ClINO/c1-20-7-6-12-8-16(18)17(21)9-14(12)15(10-20)11-2-4-13(19)5-3-11/h2-5,8-9,15,21H,6-7,10H2,1H3
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1.71n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Dopamine receptor D1 by displacing [125I]-FISCH radioligand in rat striatal homogenate


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86282
PNG
(6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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1.90n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86268
PNG
(MCL-206)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccc(C)cc1
Show InChI InChI=1S/C18H20ClNO2/c1-11-3-5-12(6-4-11)15-10-20(2)8-7-13-14(15)9-16(21)18(22)17(13)19/h3-6,9,15,21-22H,7-8,10H2,1-2H3
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PubMed
1.93n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM86276
PNG
(CAS_0 | MCL-207 | NSC_0)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1C
Show InChI InChI=1S/C18H20ClNO2/c1-11-5-3-4-6-12(11)15-10-20(2)8-7-13-14(15)9-16(21)18(22)17(13)19/h3-6,9,15,21-22H,7-8,10H2,1-2H3
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PubMed
2.32n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50004796
PNG
(8-Chloro-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,18-19H,6-7,10H2
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PubMed
2.35n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM


Citation and Details
More data for this
Ligand-Target Pair
DRD2


(CANINE)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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Article
PubMed
2.80n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 610-4 (1991)

More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM86268
PNG
(MCL-206)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccc(C)cc1
Show InChI InChI=1S/C18H20ClNO2/c1-11-3-5-12(6-4-11)15-10-20(2)8-7-13-14(15)9-16(21)18(22)17(13)19/h3-6,9,15,21-22H,7-8,10H2,1-2H3
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3.96n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50004796
PNG
(8-Chloro-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,18-19H,6-7,10H2
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4.90n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM86282
PNG
(6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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7n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at dopamine receptor D1


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM86180
PNG
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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PubMed
10.8n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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11n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Dopamine receptor D2 in rat striatal membranes using [3H]spiperone


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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15n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)

More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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16n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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17n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM82248
PNG
(CAS_73445-63-3 | SCH 23388 (S-enantiomer))
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m0/s1
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20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Ability to partially antagonise [3H]-SCH- 23388 binding to the Dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
ADRA2C


(OK)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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22n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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28n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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35n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its binding affinity against Alpha-2 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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40n/an/an/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Affinity towards Dopamine receptor D1


J Med Chem 41: 4385-99 (1998)

More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM86276
PNG
(CAS_0 | MCL-207 | NSC_0)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1C
Show InChI InChI=1S/C18H20ClNO2/c1-11-5-3-4-6-12(11)15-10-20(2)8-7-13-14(15)9-16(21)18(22)17(13)19/h3-6,9,15,21-22H,7-8,10H2,1-2H3
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66.6n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM86276
PNG
(CAS_0 | MCL-207 | NSC_0)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1C
Show InChI InChI=1S/C18H20ClNO2/c1-11-5-3-4-6-12(11)15-10-20(2)8-7-13-14(15)9-16(21)18(22)17(13)19/h3-6,9,15,21-22H,7-8,10H2,1-2H3
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70.6n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007702
PNG
(6-Chloro-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO2/c1-19-8-7-12-13(9-15(20)17(21)16(12)18)14(10-19)11-5-3-2-4-6-11/h2-6,9,14,20-21H,7-8,10H2,1H3
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77n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards dopamine receptor D2 at high affinity state.


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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91n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM86268
PNG
(MCL-206)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccc(C)cc1
Show InChI InChI=1S/C18H20ClNO2/c1-11-3-5-12(6-4-11)15-10-20(2)8-7-13-14(15)9-16(21)18(22)17(13)19/h3-6,9,15,21-22H,7-8,10H2,1-2H3
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147n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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151n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its binding affinity against Alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86276
PNG
(CAS_0 | MCL-207 | NSC_0)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1C
Show InChI InChI=1S/C18H20ClNO2/c1-11-5-3-4-6-12(11)15-10-20(2)8-7-13-14(15)9-16(21)18(22)17(13)19/h3-6,9,15,21-22H,7-8,10H2,1-2H3
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177n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM82248
PNG
(CAS_73445-63-3 | SCH 23388 (S-enantiomer))
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m0/s1
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192n/an/an/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Compound was tested for the displacement of [3H]-SCH- 23390 from dopamine receptor D1


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82248
PNG
(CAS_73445-63-3 | SCH 23388 (S-enantiomer))
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m0/s1
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192n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM86180
PNG
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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208n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM86276
PNG
(CAS_0 | MCL-207 | NSC_0)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1C
Show InChI InChI=1S/C18H20ClNO2/c1-11-5-3-4-6-12(11)15-10-20(2)8-7-13-14(15)9-16(21)18(22)17(13)19/h3-6,9,15,21-22H,7-8,10H2,1-2H3
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226n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM86268
PNG
(MCL-206)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccc(C)cc1
Show InChI InChI=1S/C18H20ClNO2/c1-11-3-5-12(6-4-11)15-10-20(2)8-7-13-14(15)9-16(21)18(22)17(13)19/h3-6,9,15,21-22H,7-8,10H2,1-2H3
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250n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86282
PNG
(6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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310n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards dopamine receptor D2 at high affinity state.


Citation and Details
More data for this
Ligand-Target Pair
DRD2


(CANINE)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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321n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 610-4 (1991)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM86268
PNG
(MCL-206)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccc(C)cc1
Show InChI InChI=1S/C18H20ClNO2/c1-11-3-5-12(6-4-11)15-10-20(2)8-7-13-14(15)9-16(21)18(22)17(13)19/h3-6,9,15,21-22H,7-8,10H2,1-2H3
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362n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM86282
PNG
(6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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509n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
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