BDBM50104563 2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-1-(dodecahydro-carbazol-9-yl)-2-methyl-propan-1-one::CHEMBL313004

SMILES: C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCCCC2C2CCCCC12)-c1cc(C)cc(C)c1

InChI Key: InChIKey=BKSRWLOPOUNWJY-AMMNUJJISA-N

Data: 2 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 2 hits for monomerid = 50104563   

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 (Homo sapiens (Human))	BDBM50104563 (2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCCCC2C2CCCCC12)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C44H58N4O/c1-29-24-30(2)26-33(25-29)42-41(31(3)28-46-21-11-10-12-32-19-22-45-23-20-32)37-27-34(17-18-38(37)47-42)44(4,5)43(49)48-39-15-8-6-13-35(39)36-14-7-9-16-40(36)48/h17-20,22-27,31,35-36,39-40,46-47H,6-16,21,28H2,1-5H3/t31-,35?,36?,39?,40?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50104563 (2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCCCC2C2CCCCC12)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C44H58N4O/c1-29-24-30(2)26-33(25-29)42-41(31(3)28-46-21-11-10-12-32-19-22-45-23-20-32)37-27-34(17-18-38(37)47-42)44(4,5)43(49)48-39-15-8-6-13-35(39)36-14-7-9-16-40(36)48/h17-20,22-27,31,35-36,39-40,46-47H,6-16,21,28H2,1-5H3/t31-,35?,36?,39?,40?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair