BDBM22870 13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene::2-chloro-11-piperazin-1-yldibenzo[b,f][1,4]oxazepine::Amoxapine::Asendin::CHEMBL1113::Demolox

SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1

InChI Key InChIKey=QWGDMFLQWFTERH-UHFFFAOYSA-N

Data  34 KI  5 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 39 hits for monomerid = 22870   

Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
University of Turku

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
University of Li£ge

Curated by ChEMBL
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  1.77nMAssay Description:Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHO cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  1.99nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
TargetD(4) dopamine receptor(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
TargetD(2) dopamine receptor(Homo sapiens (Human))
ACADIA Pharmaceuticals Inc

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  3.60nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(RAT)
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Target5-hydroxytryptamine receptor 6(RAT)
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  6.31nMMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
ACADIA Pharmaceuticals Inc

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
ACADIA Pharmaceuticals Inc

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  16nMMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  16nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  20nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(RAT)
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  30.2nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(RAT)
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  30.4nMMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
ACADIA Pharmaceuticals Inc

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  31nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  34nMAssay Description:Displacement of [3H]-YM09151-2 from human cloned dopamine D4 receptor expressed in insect Sf9 cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
ACADIA Pharmaceuticals Inc

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  38nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Friedrich-Schiller-University Jena

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  39.8nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  40nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Friedrich-Schiller-University Jena

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  40.6nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
University of Washington

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  50nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  58nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  92nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(GUINEA PIG)
Syntex Discovery Research

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  186nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
University of Li£ge

Curated by ChEMBL
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  221nMAssay Description:Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of Turku

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  290nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of Turku

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  290nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of Turku

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  409nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  500nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 7 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(GUINEA PIG)
Syntex Discovery Research

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  1.41E+3nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  4.31E+3nMMore data for this Ligand-Target Pair
TargetHistamine H4 receptor(Homo sapiens (Human))
Vrije Universiteit Amsterdam

LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  5.01E+3nM ΔG°:  -7.52kcal/molepH: 7.4 T: 2°CAssay Description:Ligand displacement assays were performed on The SK-N-MC/hH4R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...More data for this Ligand-Target Pair
TargetSulfotransferase 1A1(Homo sapiens (Human))
Albert Einstein College of Medicine

LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  3.50E+4nM ΔG°:  -5.61kcal/molepH: 7.5 T: 2°CAssay Description:Reaction conditions were as follows: SULT1A1 or 2A1 (50 nM), PnP (3.0 or 100 uM, respectively; 2 x Km PnP), amoxipine or protriptyline (0, 50, 100, o...More data for this Ligand-Target Pair
TargetSulfotransferase 2A1(Homo sapiens (Human))
Albert Einstein College of Medicine

LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataKi:  1.25E+5nM ΔG°:  -4.91kcal/molepH: 7.5 T: 2°CAssay Description:Reaction conditions were as follows: SULT1A1 or 2A1 (50 nM), PnP (3.0 or 100 uM, respectively; 2 x Km PnP), amoxipine or protriptyline (0, 50, 100, o...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataIC50: 2.30E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM22870(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair