BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 650 hits with Last Name = 'shiosaki' and Initial = 'k'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Gastrin/cholecystokinin type B receptor


(GUINEA PIG)		BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
 0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 39: 346-51 (1991)


BindingDB Entry DOI: 10.7270/Q2222S8S
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50408146
PNG
(CHEMBL2114444)
Show SMILES CCc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C17H19NO2S/c1-2-10-6-12-16(21-10)8-18-13-4-3-9-5-14(19)15(20)7-11(9)17(12)13/h5-7,13,17-20H,2-4,8H2,1H3/t13-,17+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(GUINEA PIG)		BDBM50002515
PNG
((A-71623)3-[2-[2-tert-Butoxycarbonylamino-3-(1H-in...)
Show SMILES CN(C(Cc1ccccc1)C(N)=O)C(=O)C(CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34?,35?,36?/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PubMed
 3.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 39: 346-51 (1991)


BindingDB Entry DOI: 10.7270/Q2222S8S
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057833
PNG
((5aS,11bS)-2-Chloro-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES Oc1cc2CC[C@@H]3NCc4cc(Cl)sc4[C@H]3c2cc1O
Show InChI InChI=1S/C15H14ClNO2S/c16-13-4-8-6-17-10-2-1-7-3-11(18)12(19)5-9(7)14(10)15(8)20-13/h3-5,10,14,17-19H,1-2,6H2/t10-,14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(GUINEA PIG)		BDBM81870
PNG
(A-70874 | CAS_6439313 | NSC_6439313)
Show SMILES CNC(Cc1ccccc1)C(=O)N(C(=O)C(CC(O)=O)NC(=O)C(N)CCCCNC(=O)C=Cc1ccc(O)cc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C |w:32.32|
Show InChI InChI=1S/C45H55N7O10/c1-45(2,3)62-44(61)51-36(25-30-27-49-34-16-9-8-14-32(30)34)42(59)52(41(58)35(47-4)24-29-12-6-5-7-13-29)43(60)37(26-39(55)56)50-40(57)33(46)15-10-11-23-48-38(54)22-19-28-17-20-31(53)21-18-28/h5-9,12-14,16-22,27,33,35-37,47,49,53H,10-11,15,23-26,46H2,1-4H3,(H,48,54)(H,50,57)(H,51,61)(H,55,56)/b22-19+
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
 4.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 39: 346-51 (1991)


BindingDB Entry DOI: 10.7270/Q2222S8S
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50408147
PNG
(CHEMBL2114440)
Show SMILES Cc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C16H17NO2S/c1-8-4-11-15(20-8)7-17-12-3-2-9-5-13(18)14(19)6-10(9)16(11)12/h4-6,12,16-19H,2-3,7H2,1H3/t12-,16+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 5.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50408143
PNG
(CHEMBL2115377)
Show SMILES CCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C17H19NO2S/c1-2-10-6-12-16(21-10)8-18-13-4-3-9-5-14(19)15(20)7-11(9)17(12)13/h5-7,13,17-20H,2-4,8H2,1H3/t13-,17+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 6.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50408145
PNG
(CHEMBL2114441)
Show SMILES CC(C)(C)c1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C19H23NO2S/c1-19(2,3)17-8-12-16(23-17)9-20-13-5-4-10-6-14(21)15(22)7-11(10)18(12)13/h6-8,13,18,20-22H,4-5,9H2,1-3H3/t13-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 6.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(GUINEA PIG)		BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
 8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 39: 346-51 (1991)


BindingDB Entry DOI: 10.7270/Q2222S8S
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057842
PNG
((5aS,11bS)-2-Ethyl-4,5,5a,6,7,11b-hexahydro-1-thia...)
Show SMILES CCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C17H19NO2S/c1-2-11-5-10-8-18-13-4-3-9-6-14(19)15(20)7-12(9)16(13)17(10)21-11/h5-7,13,16,18-20H,2-4,8H2,1H3/t13-,16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057848
PNG
((5aS,11bR)-2-Chloro-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES Oc1cc2CC[C@@H]3NCc4sc(Cl)cc4[C@H]3c2cc1O
Show InChI InChI=1S/C15H14ClNO2S/c16-14-5-9-13(20-14)6-17-10-2-1-7-3-11(18)12(19)4-8(7)15(9)10/h3-5,10,15,17-19H,1-2,6H2/t10-,15+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057841
PNG
((5aS,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES CCCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-12-6-11-9-19-14-5-4-10-7-15(20)16(21)8-13(10)17(14)18(11)22-12/h6-8,14,17,19-21H,2-5,9H2,1H3/t14-,17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50033114
PNG
((5aR,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES CCCc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50408141
PNG
(CHEMBL2115372)
Show SMILES Cc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C16H17NO2S/c1-8-4-11-15(20-8)7-17-12-3-2-9-5-13(18)14(19)6-10(9)16(11)12/h4-6,12,16-19H,2-3,7H2,1H3/t12-,16+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057846
PNG
((5aS,11bS)-2-Methyl-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES Cc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C16H17NO2S/c1-8-4-10-7-17-12-3-2-9-5-13(18)14(19)6-11(9)15(12)16(10)20-8/h4-6,12,15,17-19H,2-3,7H2,1H3/t12-,15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057857
PNG
((5aS,11bR)-2-Isopropyl-4,5,5a,6,7,11b-hexahydro-3-...)
Show SMILES CC(C)c1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-9(2)16-7-12-17(22-16)8-19-13-4-3-10-5-14(20)15(21)6-11(10)18(12)13/h5-7,9,13,18-21H,3-4,8H2,1-2H3/t13-,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50033116
PNG
((1R,3S)-3-Adamantan-1-yl-1-aminomethyl-isochroman-...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2 |TLB:21:16:23:22.20.19,21:20:23:15.16.17,THB:19:18:15:22.20.21,19:20:15:23.18.17|
Show InChI InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
PubMed
 21n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D1 using [125I]-SCH 23982 as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(1A) dopamine receptor


(RAT)		BDBM50057845
PNG
((5aS,11bS)-2-Butyl-4,5,5a,6,7,11b-hexahydro-1-thia...)
Show SMILES CCCCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C19H23NO2S/c1-2-3-4-13-7-12-10-20-15-6-5-11-8-16(21)17(22)9-14(11)18(15)19(12)23-13/h7-9,15,18,20-22H,2-6,10H2,1H3/t15-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 22n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(GUINEA PIG)		BDBM50002477
PNG
((S)-3-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H44N6O8S/c1-34(2,3)48-33(47)40-26(17-21-19-36-23-13-9-8-12-22(21)23)31(45)37-24(14-15-49-4)30(44)39-27(18-28(41)42)32(46)38-25(29(35)43)16-20-10-6-5-7-11-20/h5-13,19,24-27,36H,14-18H2,1-4H3,(H2,35,43)(H,37,45)(H,38,46)(H,39,44)(H,40,47)(H,41,42)/t24-,25-,26-,27-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 39: 346-51 (1991)


BindingDB Entry DOI: 10.7270/Q2222S8S
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50033116
PNG
((1R,3S)-3-Adamantan-1-yl-1-aminomethyl-isochroman-...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2 |TLB:21:16:23:22.20.19,21:20:23:15.16.17,THB:19:18:15:22.20.21,19:20:15:23.18.17|
Show InChI InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Dopamine receptor D1 by using radioligand [125I]-SCH-23982 in HEK cells

Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D1 using [125I]-SCH 23982 as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 35n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50077634
PNG
((6aR,12bS)-3-Propyl-5,6,6a,7,8,12b-hexahydro-4,6-d...)
Show SMILES CCCc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2n1
Show InChI InChI=1S/C19H22N2O2/c1-2-3-12-5-6-13-16(21-12)10-20-15-7-4-11-8-17(22)18(23)9-14(11)19(13)15/h5-6,8-9,15,19-20,22-23H,2-4,7,10H2,1H3/t15-,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 45n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Potency in adenylate cyclase functional assay against Dopamine receptor D1

Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057840
PNG
((5aR,11bS)-4,5,5a,6,7,11b-Hexahydro-2-thia-5-aza-c...)
Show SMILES Oc1cc2CC[C@H]3NCc4cscc4[C@@H]3c2cc1O
Show InChI InChI=1S/C15H15NO2S/c17-13-3-8-1-2-12-15(10(8)4-14(13)18)11-7-19-6-9(11)5-16-12/h3-4,6-7,12,15-18H,1-2,5H2/t12-,15+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 45n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50077631
PNG
((6aR,12bS)-3-Methoxy-5,6,6a,7,8,12b-hexahydro-4,6-...)
Show SMILES COc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2n1
Show InChI InChI=1S/C17H18N2O3/c1-22-16-5-3-10-13(19-16)8-18-12-4-2-9-6-14(20)15(21)7-11(9)17(10)12/h3,5-7,12,17-18,20-21H,2,4,8H2,1H3/t12-,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 49n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Potency in adenylate cyclase functional assay against Dopamine receptor D1

Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50033114
PNG
((5aR,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES CCCc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 49n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Dopamine receptor D1 by using radioligand [125I]-SCH-23982 in HEK cells

Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50033114
PNG
((5aR,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES CCCc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 49n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D1 using [125I]-SCH 23982 as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50057858
PNG
((5aR,11bR)-3-Propyl-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES CCCc1csc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc12
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-9-22-18-13(11)8-19-14-5-4-10-6-15(20)16(21)7-12(10)17(14)18/h6-7,9,14,17,19-21H,2-5,8H2,1H3/t14-,17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 like from rat caudate membrane using [3H]-spiperone as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50408144
PNG
(CHEMBL2115373)
Show SMILES CC(C)(C)c1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C19H23NO2S/c1-19(2,3)17-8-12-16(23-17)9-20-13-5-4-10-6-14(21)15(22)7-11(10)18(12)13/h6-8,13,18,20-22H,4-5,9H2,1-3H3/t13-,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057855
PNG
((5aS,11bR)-2-Isobutyl-4,5,5a,6,7,11b-hexahydro-3-t...)
Show SMILES CC(C)Cc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C19H23NO2S/c1-10(2)5-12-7-14-18(23-12)9-20-15-4-3-11-6-16(21)17(22)8-13(11)19(14)15/h6-8,10,15,19-22H,3-5,9H2,1-2H3/t15-,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 52n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 56n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D1 using [125I]-SCH 23982 as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057858
PNG
((5aR,11bR)-3-Propyl-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES CCCc1csc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc12
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-9-22-18-13(11)8-19-14-5-4-10-6-15(20)16(21)7-12(10)17(14)18/h6-7,9,14,17,19-21H,2-5,8H2,1H3/t14-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 58n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50077638
PNG
((6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-4,6-diaza-benz...)
Show SMILES Oc1cc2CC[C@H]3NCc4ncccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C16H16N2O2/c19-14-6-9-3-4-12-16(11(9)7-15(14)20)10-2-1-5-17-13(10)8-18-12/h1-2,5-7,12,16,18-20H,3-4,8H2/t12-,16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 65n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Potency in adenylate cyclase functional assay against Dopamine receptor D1

Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057837
PNG
((5aS,11bS)-4,5,5a,6,7,11b-Hexahydro-1-thia-5-aza-c...)
Show SMILES Oc1cc2CC[C@@H]3NCc4ccsc4[C@H]3c2cc1O
Show InChI InChI=1S/C15H15NO2S/c17-12-5-8-1-2-11-14(10(8)6-13(12)18)15-9(7-16-11)3-4-19-15/h3-6,11,14,16-18H,1-2,7H2/t11-,14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057843
PNG
((5aS,11bR)-4,5,5a,6,7,11b-Hexahydro-3-thia-5-aza-c...)
Show SMILES Oc1cc2CC[C@@H]3NCc4sccc4[C@H]3c2cc1O
Show InChI InChI=1S/C15H15NO2S/c17-12-5-8-1-2-11-15(10(8)6-13(12)18)9-3-4-19-14(9)7-16-11/h3-6,11,15-18H,1-2,7H2/t11-,15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 73n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057852
PNG
((5aS,11bS)-2-tert-Butyl-4,5,5a,6,7,11b-hexahydro-1...)
Show SMILES CC(C)(C)c1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C19H23NO2S/c1-19(2,3)16-7-11-9-20-13-5-4-10-6-14(21)15(22)8-12(10)17(13)18(11)23-16/h6-8,13,17,20-22H,4-5,9H2,1-3H3/t13-,17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 78n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50057856
PNG
((5aR,11bS)-3-Propyl-4,5,5a,6,7,11b-hexahydro-2-thi...)
Show SMILES CCCc1scc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc12
Show InChI InChI=1S/C18H21NO2S/c1-2-3-17-12-8-19-14-5-4-10-6-15(20)16(21)7-11(10)18(14)13(12)9-22-17/h6-7,9,14,18-21H,2-5,8H2,1H3/t14-,18+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 like from rat caudate membrane using [3H]-spiperone as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057839
PNG
((5aS,11bR)-2-Butyl-4,5,5a,6,7,11b-hexahydro-3-thia...)
Show SMILES CCCCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C19H23NO2S/c1-2-3-4-12-8-14-18(23-12)10-20-15-6-5-11-7-16(21)17(22)9-13(11)19(14)15/h7-9,15,19-22H,2-6,10H2,1H3/t15-,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 125n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057856
PNG
((5aR,11bS)-3-Propyl-4,5,5a,6,7,11b-hexahydro-2-thi...)
Show SMILES CCCc1scc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc12
Show InChI InChI=1S/C18H21NO2S/c1-2-3-17-12-8-19-14-5-4-10-6-15(20)16(21)7-11(10)18(14)13(12)9-22-17/h6-7,9,14,18-21H,2-5,8H2,1H3/t14-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 125n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars
DrugBank
PDB
PubMed
 130n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D1 using [125I]-SCH 23982 as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50077636
PNG
((6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-3,6-diaza-benz...)
Show SMILES Oc1cc2CC[C@H]3NCc4cnccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C16H16N2O2/c19-14-5-9-1-2-13-16(12(9)6-15(14)20)11-3-4-17-7-10(11)8-18-13/h3-7,13,16,18-20H,1-2,8H2/t13-,16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Potency in adenylate cyclase functional assay against Dopamine receptor D1

Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50077639
PNG
((6aR,12bS)-3-Methyl-5,6,6a,7,8,12b-hexahydro-4,6-d...)
Show SMILES Cc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2n1
Show InChI InChI=1S/C17H18N2O2/c1-9-2-4-11-14(19-9)8-18-13-5-3-10-6-15(20)16(21)7-12(10)17(11)13/h2,4,6-7,13,17-18,20-21H,3,5,8H2,1H3/t13-,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Dopamine receptor D1 by using radioligand [125I]-SCH-23982 in HEK cells

Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50057833
PNG
((5aS,11bS)-2-Chloro-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES Oc1cc2CC[C@@H]3NCc4cc(Cl)sc4[C@H]3c2cc1O
Show InChI InChI=1S/C15H14ClNO2S/c16-13-4-8-6-17-10-2-1-7-3-11(18)12(19)5-9(7)14(10)15(8)20-13/h3-5,10,14,17-19H,1-2,6H2/t10-,14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 145n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 like from rat caudate membrane using [3H]-spiperone as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50057842
PNG
((5aS,11bS)-2-Ethyl-4,5,5a,6,7,11b-hexahydro-1-thia...)
Show SMILES CCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C17H19NO2S/c1-2-11-5-10-8-18-13-4-3-9-6-14(19)15(20)7-12(9)16(13)17(10)21-11/h5-7,13,16,18-20H,2-4,8H2,1H3/t13-,16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 145n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 like from rat caudate membrane using [3H]-spiperone as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50057841
PNG
((5aS,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES CCCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-12-6-11-9-19-14-5-4-10-7-15(20)16(21)8-13(10)17(14)18(11)22-12/h6-8,14,17,19-21H,2-5,9H2,1H3/t14-,17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 150n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 like from rat caudate membrane using [3H]-spiperone as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057835
PNG
((5aS,11bR)-2-Cyclohexyl-4,5,5a,6,7,11b-hexahydro-3...)
Show SMILES Oc1cc2CC[C@@H]3NCc4sc(cc4[C@H]3c2cc1O)C1CCCCC1
Show InChI InChI=1S/C21H25NO2S/c23-17-8-13-6-7-16-21(14(13)9-18(17)24)15-10-19(25-20(15)11-22-16)12-4-2-1-3-5-12/h8-10,12,16,21-24H,1-7,11H2/t16-,21+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 150n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50057832
PNG
((5aS,11bS)-2-Cyclohexyl-4,5,5a,6,7,11b-hexahydro-1...)
Show SMILES Oc1cc2CC[C@@H]3NCc4cc(sc4[C@H]3c2cc1O)C1CCCCC1
Show InChI InChI=1S/C21H25NO2S/c23-17-8-13-6-7-16-20(15(13)10-18(17)24)21-14(11-22-16)9-19(25-21)12-4-2-1-3-5-12/h8-10,12,16,20,22-24H,1-7,11H2/t16-,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 165n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand

J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50077635
PNG
((6aR,12bS)-3-Fluoro-5,6,6a,7,8,12b-hexahydro-4,6-d...)
Show SMILES Oc1cc2CC[C@H]3NCc4nc(F)ccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C16H15FN2O2/c17-15-4-2-9-12(19-15)7-18-11-3-1-8-5-13(20)14(21)6-10(8)16(9)11/h2,4-6,11,16,18,20-21H,1,3,7H2/t11-,16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Dopamine receptor D1 by using radioligand [125I]-SCH-23982 in HEK cells

Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 650 total )  |  Next  |  Last  >>
Jump to: