BDBM50213653 (S)-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-yl)ethylamino)propan-2-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-5(4H)-yl)(2,2,3,3-tetramethylcyclopropyl)methanone::CHEMBL232150

SMILES: C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)C1C(C)(C)C1(C)C

InChI Key: InChIKey=XHUMTSAYRBZEAT-HSZRJFAPSA-N

Data: 1 KI  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 3 hits for monomerid = 50213653   

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)	BDBM50213653 ((S)-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-yl)...) Show SMILES C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)C1C(C)(C)C1(C)C Show InChI InChI=1S/C33H44N4O/c1-21-16-22(2)18-25(17-21)29-28(23(3)19-35-14-10-24-8-12-34-13-9-24)26-20-37(15-11-27(26)36-29)31(38)30-32(4,5)33(30,6)7/h8-9,12-13,16-18,23,30,35-36H,10-11,14-15,19-20H2,1-7H3/t23-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR				Bioorg Med Chem Lett 17: 3845-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.009 BindingDB Entry DOI: 10.7270/Q2JD4WHQ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50213653 ((S)-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-yl)...) Show SMILES C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)C1C(C)(C)C1(C)C Show InChI InChI=1S/C33H44N4O/c1-21-16-22(2)18-25(17-21)29-28(23(3)19-35-14-10-24-8-12-34-13-9-24)26-20-37(15-11-27(26)36-29)31(38)30-32(4,5)33(30,6)7/h8-9,12-13,16-18,23,30,35-36H,10-11,14-15,19-20H2,1-7H3/t23-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of GnRHR in rat pituitary cells assessed as inhibition of GnRH-stimulated LH release				Bioorg Med Chem Lett 17: 3845-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.009 BindingDB Entry DOI: 10.7270/Q2JD4WHQ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50213653 ((S)-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-yl)...) Show SMILES C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)C1C(C)(C)C1(C)C Show InChI InChI=1S/C33H44N4O/c1-21-16-22(2)18-25(17-21)29-28(23(3)19-35-14-10-24-8-12-34-13-9-24)26-20-37(15-11-27(26)36-29)31(38)30-32(4,5)33(30,6)7/h8-9,12-13,16-18,23,30,35-36H,10-11,14-15,19-20H2,1-7H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	475	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human GnRHR expressed in RBL cells assessed as inhibition of GnRH-stimulated [3H]-inositol phosphate hydrolysis				Bioorg Med Chem Lett 17: 3845-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.009 BindingDB Entry DOI: 10.7270/Q2JD4WHQ
					More data for this Ligand-Target Pair