BDBM50225083 CHEMBL401351::N-(1-(2-(4-(2-(2-(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl)-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl)ethyl)piperazin-1-yl)acetyl)pyrrolidin-3-yl)acetamide

SMILES: CC(=O)NC1CCN(C1)C(=O)CN1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1

InChI Key: InChIKey=QCAGIUOTTHOACE-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 = 50225083   

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))	BDBM50225083 (CHEMBL401351 | N-(1-(2-(4-(2-(2-(1-(7-aza-bicyclo[...) Show SMILES CC(=O)NC1CCN(C1)C(=O)CN1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |w:4.3,THB:29:31:33.34:36.37| Show InChI InChI=1S/C38H52N6O3S/c1-24-18-25(2)20-27(19-24)35-31(11-12-41-14-16-42(17-15-41)23-34(46)43-13-10-28(22-43)39-26(3)45)32-21-33(48-36(32)40-35)38(4,5)37(47)44-29-6-7-30(44)9-8-29/h18-21,28-30,40H,6-17,22-23H2,1-5H3,(H,39,45)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	947	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after...				Bioorg Med Chem Lett 17: 6448-54 (2007) Article DOI: 10.1016/j.bmcl.2007.09.099 BindingDB Entry DOI: 10.7270/Q26D5SQF
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50225083 (CHEMBL401351 | N-(1-(2-(4-(2-(2-(1-(7-aza-bicyclo[...) Show SMILES CC(=O)NC1CCN(C1)C(=O)CN1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |w:4.3,THB:29:31:33.34:36.37| Show InChI InChI=1S/C38H52N6O3S/c1-24-18-25(2)20-27(19-24)35-31(11-12-41-14-16-42(17-15-41)23-34(46)43-13-10-28(22-43)39-26(3)45)32-21-33(48-36(32)40-35)38(4,5)37(47)44-29-6-7-30(44)9-8-29/h18-21,28-30,40H,6-17,22-23H2,1-5H3,(H,39,45)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Displacement of [125I]D-Trp from rat GnRH receptor				Bioorg Med Chem Lett 17: 6448-54 (2007) Article DOI: 10.1016/j.bmcl.2007.09.099 BindingDB Entry DOI: 10.7270/Q26D5SQF
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50225083 (CHEMBL401351 | N-(1-(2-(4-(2-(2-(1-(7-aza-bicyclo[...) Show SMILES CC(=O)NC1CCN(C1)C(=O)CN1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |w:4.3,THB:29:31:33.34:36.37| Show InChI InChI=1S/C38H52N6O3S/c1-24-18-25(2)20-27(19-24)35-31(11-12-41-14-16-42(17-15-41)23-34(46)43-13-10-28(22-43)39-26(3)45)32-21-33(48-36(32)40-35)38(4,5)37(47)44-29-6-7-30(44)9-8-29/h18-21,28-30,40H,6-17,22-23H2,1-5H3,(H,39,45)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	345	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells				Bioorg Med Chem Lett 17: 6448-54 (2007) Article DOI: 10.1016/j.bmcl.2007.09.099 BindingDB Entry DOI: 10.7270/Q26D5SQF
					More data for this Ligand-Target Pair