BDBM50403824 CHEMBL2111956

SMILES: Cc1cc(C)cc(c1)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O

InChI Key: InChIKey=PBZUGIXUZZZNKG-FQEVSTJZSA-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 = 50403824   

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 1 (GnRHR1) (Homo sapiens (Human))	BDBM50403824 (CHEMBL2111956) Show SMILES Cc1cc(C)cc(c1)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r| Show InChI InChI=1S/C29H30ClN5O3/c1-17-11-18(2)13-19(12-17)26-27(38-10-7-20-5-3-4-8-32-20)22-14-21(23(30)15-24(22)34-29(26)37)28(36)35-25-6-9-31-16-33-25/h6,9,11-16,20,32H,3-5,7-8,10H2,1-2H3,(H,34,37)(H,31,33,35,36)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells stably expressing gonadotropin-releasing hormone receptor.				Bioorg Med Chem Lett 10: 443-7 (2000) BindingDB Entry DOI: 10.7270/Q25Q4V99
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50403824 (CHEMBL2111956) Show SMILES Cc1cc(C)cc(c1)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r| Show InChI InChI=1S/C29H30ClN5O3/c1-17-11-18(2)13-19(12-17)26-27(38-10-7-20-5-3-4-8-32-20)22-14-21(23(30)15-24(22)34-29(26)37)28(36)35-25-6-9-31-16-33-25/h6,9,11-16,20,32H,3-5,7-8,10H2,1-2H3,(H,34,37)(H,31,33,35,36)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat CHO cells stably expressing human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 10: 443-7 (2000) BindingDB Entry DOI: 10.7270/Q25Q4V99
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50403824 (CHEMBL2111956) Show SMILES Cc1cc(C)cc(c1)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r| Show InChI InChI=1S/C29H30ClN5O3/c1-17-11-18(2)13-19(12-17)26-27(38-10-7-20-5-3-4-8-32-20)22-14-21(23(30)15-24(22)34-29(26)37)28(36)35-25-6-9-31-16-33-25/h6,9,11-16,20,32H,3-5,7-8,10H2,1-2H3,(H,34,37)(H,31,33,35,36)/t20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of GnRH stimulated release of luteinizing hormone from the rat primary pituitary cells.				Bioorg Med Chem Lett 10: 443-7 (2000) BindingDB Entry DOI: 10.7270/Q25Q4V99
					More data for this Ligand-Target Pair