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BDBM50074092 6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(2'R,8a'R)-spiro[4H,5H-pyrrole-2,7'-perhydropyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide::CHEMBL156164

SMILES: NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12

InChI Key: InChIKey=WAMSRMUXQPANBA-UTEDSILMSA-N

Data: 8 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50074092   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074092
PNG
(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
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0.0310n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074092
PNG
(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
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0.0640n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074092
PNG
(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
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0.0710n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074092
PNG
(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
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0.122n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074092
PNG
(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
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168n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of G...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074092
PNG
(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
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196n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of G...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074092
PNG
(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
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202n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074092
PNG
(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
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246n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair