BDBM50101221 CHEMBL49374::N-Cyclohexyl-2-{2-(3,5-dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-N-ethyl-isobutyramide

SMILES: CCN(C1CCCCC1)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1

InChI Key: InChIKey=WOVMOKDSVXXEON-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50101221   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50101221 (CHEMBL49374 | N-Cyclohexyl-2-{2-(3,5-dimethyl-phen...) Show SMILES CCN(C1CCCCC1)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C39H52N4O/c1-6-43(33-13-8-7-9-14-33)38(44)39(4,5)32-15-16-36-35(27-32)34(37(42-36)31-25-28(2)24-29(3)26-31)19-23-40-20-11-10-12-30-17-21-41-22-18-30/h15-18,21-22,24-27,33,40,42H,6-14,19-20,23H2,1-5H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2FQ9VW9
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50101221 (CHEMBL49374 | N-Cyclohexyl-2-{2-(3,5-dimethyl-phen...) Show SMILES CCN(C1CCCCC1)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C39H52N4O/c1-6-43(33-13-8-7-9-14-33)38(44)39(4,5)32-15-16-36-35(27-32)34(37(42-36)31-25-28(2)24-29(3)26-31)19-23-40-20-11-10-12-30-17-21-41-22-18-30/h15-18,21-22,24-27,33,40,42H,6-14,19-20,23H2,1-5H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2FQ9VW9
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50101221 (CHEMBL49374 | N-Cyclohexyl-2-{2-(3,5-dimethyl-phen...) Show SMILES CCN(C1CCCCC1)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C39H52N4O/c1-6-43(33-13-8-7-9-14-33)38(44)39(4,5)32-15-16-36-35(27-32)34(37(42-36)31-25-28(2)24-29(3)26-31)19-23-40-20-11-10-12-30-17-21-41-22-18-30/h15-18,21-22,24-27,33,40,42H,6-14,19-20,23H2,1-5H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of GnRH-stimulated phosphatidyinositol (PI) hydrolysis in cloned chinese hamster ovary (CHO) cells expressing human GnRH receptor.				Bioorg Med Chem Lett 11: 1727-31 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VW9
					More data for this Ligand-Target Pair