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BDBM85154 2,3,4,5-Tetrahydro-3-(1H-indazole-3-ylmethyl)-N-(4-methoxyphenyl)-N-(1-methylethyl)-2,4-dioxo-5-phenyl-1H-1,5-benzodiazepine-1-acetamide::CCK-A Agonist 1::GW 5823::GW-5823::N-Isopropyl-N-(4-methoxyphenyl)-3-(1H-indazol-3-ylmethyl)-5-phenyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-acetamide

SMILES: COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O

InChI Key: InChIKey=LGYKPDHARJMLQN-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 85154   
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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM85154
PNG
(2,3,4,5-Tetrahydro-3-(1H-indazole-3-ylmethyl)-N-(4...)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C35H33N5O4/c1-23(2)39(25-17-19-26(44-3)20-18-25)33(41)22-38-31-15-9-10-16-32(31)40(24-11-5-4-6-12-24)35(43)28(34(38)42)21-30-27-13-7-8-14-29(27)36-37-30/h4-20,23,28H,21-22H2,1-3H3,(H,36,37)
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Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by PDSP Ki Database




J Med Chem 40: 2706-25 (1997)


Article DOI: 10.1021/jm970265x
BindingDB Entry DOI: 10.7270/Q27M06F9
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM85154
PNG
(2,3,4,5-Tetrahydro-3-(1H-indazole-3-ylmethyl)-N-(4...)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C35H33N5O4/c1-23(2)39(25-17-19-26(44-3)20-18-25)33(41)22-38-31-15-9-10-16-32(31)40(24-11-5-4-6-12-24)35(43)28(34(38)42)21-30-27-13-7-8-14-29(27)36-37-30/h4-20,23,28H,21-22H2,1-3H3,(H,36,37)
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type B receptor by displacement of [125I]CCK-8


J Med Chem 39: 2655-8 (1996)


Article DOI: 10.1021/jm960249k
BindingDB Entry DOI: 10.7270/Q2JQ126Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM85154
PNG
(2,3,4,5-Tetrahydro-3-(1H-indazole-3-ylmethyl)-N-(4...)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C35H33N5O4/c1-23(2)39(25-17-19-26(44-3)20-18-25)33(41)22-38-31-15-9-10-16-32(31)40(24-11-5-4-6-12-24)35(43)28(34(38)42)21-30-27-13-7-8-14-29(27)36-37-30/h4-20,23,28H,21-22H2,1-3H3,(H,36,37)
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type A receptor by displacement of [125I]CCK-8


J Med Chem 39: 2655-8 (1996)


Article DOI: 10.1021/jm960249k
BindingDB Entry DOI: 10.7270/Q2JQ126Q
More data for this
Ligand-Target Pair