BDBM50001558 CHEMBL12666

SMILES: [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C(C)C)[C@@H](C)[C@H](OC(=O)N3CCCC3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1

InChI Key: InChIKey=TYSBLBWVIHFXHE-GRGHQODPSA-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 = 50001558   

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)	BDBM50001558 (CHEMBL12666) Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C(C)C)[C@@H](C)[C@H](OC(=O)N3CCCC3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1 Show InChI InChI=1S/C46H72ClN3O11/c1-13-35-46(10)39(50(44(55)61-46)23-20-32-16-18-33(47)19-17-32)29(6)36(51)27(4)25-45(9,56-12)40(60-42-37(52)34(24-28(5)57-42)48(11)26(2)3)30(7)38(31(8)41(53)58-35)59-43(54)49-21-14-15-22-49/h16-19,26-31,34-35,37-40,42,52H,13-15,20-25H2,1-12H3/t27-,28-,29+,30+,31-,34+,35-,37-,38+,39-,40-,42?,45+,46-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	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))	BDBM50001558 (CHEMBL12666) Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C(C)C)[C@@H](C)[C@H](OC(=O)N3CCCC3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1 Show InChI InChI=1S/C46H72ClN3O11/c1-13-35-46(10)39(50(44(55)61-46)23-20-32-16-18-33(47)19-17-32)29(6)36(51)27(4)25-45(9,56-12)40(60-42-37(52)34(24-28(5)57-42)48(11)26(2)3)30(7)38(31(8)41(53)58-35)59-43(54)49-21-14-15-22-49/h16-19,26-31,34-35,37-40,42,52H,13-15,20-25H2,1-12H3/t27-,28-,29+,30+,31-,34+,35-,37-,38+,39-,40-,42?,45+,46-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.62E+3	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