null

SMILES: C[C@H](CNCCc1ccc2ncoc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1

InChI Key: InChIKey=XGDYFBGSSSIIDK-WDEPAJCISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50110597   

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))	BDBM50110597 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-[(S)-2-(2-b...) Show SMILES C[C@H](CNCCc1ccc2ncoc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:27:29:34.35:31.32| Show InChI InChI=1S/C38H44N4O2/c1-23-16-24(2)18-27(17-23)36-35(25(3)21-39-15-14-26-6-12-33-34(19-26)44-22-40-33)31-20-28(7-13-32(31)41-36)38(4,5)37(43)42-29-8-9-30(42)11-10-29/h6-7,12-13,16-20,22,25,29-30,39,41H,8-11,14-15,21H2,1-5H3/t25-,29?,30?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	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 human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50110597 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-[(S)-2-(2-b...) Show SMILES C[C@H](CNCCc1ccc2ncoc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:27:29:34.35:31.32| Show InChI InChI=1S/C38H44N4O2/c1-23-16-24(2)18-27(17-23)36-35(25(3)21-39-15-14-26-6-12-33-34(19-26)44-22-40-33)31-20-28(7-13-32(31)41-36)38(4,5)37(43)42-29-8-9-30(42)11-10-29/h6-7,12-13,16-20,22,25,29-30,39,41H,8-11,14-15,21H2,1-5H3/t25-,29?,30?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4 enzyme; Range 1-2 uM				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110597 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-[(S)-2-(2-b...) Show SMILES C[C@H](CNCCc1ccc2ncoc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:27:29:34.35:31.32| Show InChI InChI=1S/C38H44N4O2/c1-23-16-24(2)18-27(17-23)36-35(25(3)21-39-15-14-26-6-12-33-34(19-26)44-22-40-33)31-20-28(7-13-32(31)41-36)38(4,5)37(43)42-29-8-9-30(42)11-10-29/h6-7,12-13,16-20,22,25,29-30,39,41H,8-11,14-15,21H2,1-5H3/t25-,29?,30?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair