BDBM50240701 2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-benzo[f]azulene::4-Desmethylolanzapine::CHEMBL1125::desmethylolanzapine::olanzapine, N-desmethyl

SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1

InChI Key InChIKey=FHPIXVHJEIZKJW-UHFFFAOYSA-N

Data  10 KI  3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50240701   

TargetD(2) dopamine receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50240701(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
Affinity DataKi:  9nMAssay Description:In vitro binding affinity of compound against neuronal Dopamine receptor D2More data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50240701(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
Affinity DataKi:  22nMAssay Description:In vitro binding affinity of compound against histamine H1 neuronal receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50240701(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
Affinity DataKi:  23nMAssay Description:In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50240701(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
Affinity DataKi:  32nMMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50240701(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
Affinity DataKi:  80nMAssay Description:In vitro binding affinity of compound against Alpha-1 adrenergic receptorMore data for this Ligand-Target Pair
TargetD(1A) dopamine receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50240701(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
Affinity DataKi:  203nMAssay Description:In vitro binding affinity of compound against dopamine neuronal Dopamine receptor D1More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
ACADIA Pharmaceuticals Inc

Curated by PDSP Ki Database
LigandPNGBDBM50240701(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
Affinity DataKi:  300nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1/M2/M3/M4/M5(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50240701(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
Affinity DataKi:  333nMAssay Description:In vitro binding affinity of compound against muscarinic neuronal receptorMore data for this Ligand-Target Pair
TargetAlpha-2A/Alpha-2B/Alpha-2C adrenergic receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50240701(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
Affinity DataKi:  1.00E+3nMAssay Description:In vitro binding affinity of compound against neuronal alpha-2 adrenergic receptorMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50240701(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
Affinity DataKi: >1.00E+4nMAssay Description:In vitro binding affinity of compound against neuronal Beta adrenergic receptorMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50240701(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
Affinity DataIC50: 1.41E+4nMAssay Description:Inhibition of human ERG channel in HEK293 cells by voltage-clamp methodMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50240701(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
Affinity DataIC50: 1.26E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50240701(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
Affinity DataIC50: 1.42E+4nMAssay Description:Inhibition of human ERG channelMore data for this Ligand-Target Pair