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BDBM50101209 2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butylamino)-ethyl]-1H-indole-5-carboxylic acid diisobutylamide::CHEMBL295376

SMILES: CC(C)CN(CC(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1

InChI Key: InChIKey=YNTAWPKJBIRESB-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50101209   
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
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50101209
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H48N4O/c1-25(2)23-40(24-26(3)4)36(41)30-12-13-34-33(21-30)32(35(39-34)31-19-27(5)18-28(6)20-31)14-17-37-15-8-7-10-29-11-9-16-38-22-29/h9,11-13,16,18-22,25-26,37,39H,7-8,10,14-15,17,23-24H2,1-6H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to human Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00275-x
BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101209
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H48N4O/c1-25(2)23-40(24-26(3)4)36(41)30-12-13-34-33(21-30)32(35(39-34)31-19-27(5)18-28(6)20-31)14-17-37-15-8-7-10-29-11-9-16-38-22-29/h9,11-13,16,18-22,25-26,37,39H,7-8,10,14-15,17,23-24H2,1-6H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00275-x
BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50101209
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H48N4O/c1-25(2)23-40(24-26(3)4)36(41)30-12-13-34-33(21-30)32(35(39-34)31-19-27(5)18-28(6)20-31)14-17-37-15-8-7-10-29-11-9-16-38-22-29/h9,11-13,16,18-22,25-26,37,39H,7-8,10,14-15,17,23-24H2,1-6H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00275-x
BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101209
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H48N4O/c1-25(2)23-40(24-26(3)4)36(41)30-12-13-34-33(21-30)32(35(39-34)31-19-27(5)18-28(6)20-31)14-17-37-15-8-7-10-29-11-9-16-38-22-29/h9,11-13,16,18-22,25-26,37,39H,7-8,10,14-15,17,23-24H2,1-6H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated luteinizing hormone (LH) release in rat pituitary cells


Bioorg Med Chem Lett 11: 1727-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00275-x
BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair