BDBM50409918 CHEMBL275935

SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)C2CCCC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC

InChI Key: InChIKey=MASIMUDHAIYCMI-DEDQJDAQSA-N

Data: 2 KI

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 = 50409918   

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)	BDBM50409918 (CHEMBL275935) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)C2CCCC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC Show InChI InChI=1S/C48H71Cl2N3O13/c1-12-36-48(9)40(52(44(57)66-48)20-19-31-17-18-33(49)34(50)22-31)28(5)37(54)25(2)23-47(8,60-11)41(65-43-38(55)35(21-27(4)62-43)51(10)32-15-13-14-16-32)29(6)39(30(7)42(56)63-36)64-46(59)53-26(3)24-61-45(53)58/h17-18,22,25-30,32,35-36,38-41,43,55H,12-16,19-21,23-24H2,1-11H3/t25-,26+,27-,28+,29+,30-,35+,36-,38-,39+,40-,41-,43?,47+,48-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells				J Med Chem 47: 1085-97 (2004) Checked by Author Article DOI: 10.1021/jm030418i BindingDB Entry DOI: 10.7270/Q2ZG6TF5
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50409918 (CHEMBL275935) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)C2CCCC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC Show InChI InChI=1S/C48H71Cl2N3O13/c1-12-36-48(9)40(52(44(57)66-48)20-19-31-17-18-33(49)34(50)22-31)28(5)37(54)25(2)23-47(8,60-11)41(65-43-38(55)35(21-27(4)62-43)51(10)32-15-13-14-16-32)29(6)39(30(7)42(56)63-36)64-46(59)53-26(3)24-61-45(53)58/h17-18,22,25-30,32,35-36,38-41,43,55H,12-16,19-21,23-24H2,1-11H3/t25-,26+,27-,28+,29+,30-,35+,36-,38-,39+,40-,41-,43?,47+,48-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity to human luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells				J Med Chem 47: 1085-97 (2004) Checked by Author Article DOI: 10.1021/jm030418i BindingDB Entry DOI: 10.7270/Q2ZG6TF5
					More data for this Ligand-Target Pair