BDBM50001549 CHEMBL276217

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)N3[C@H](CC(C)C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1

InChI Key: InChIKey=LLXPYVFZBAHOJD-AUZHYGGTSA-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 = 50001549   

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))	BDBM50001549 (CHEMBL276217) 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)N3[C@H](CC(C)C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1 Show InChI InChI=1S/C49H76ClN3O13/c1-15-37-49(12)41(52(45(57)66-49)21-20-33-16-18-34(50)19-17-33)30(8)38(54)28(6)24-48(11,60-14)42(65-44-39(55)36(23-29(7)62-44)51(13)27(4)5)31(9)40(32(10)43(56)63-37)64-47(59)53-35(22-26(2)3)25-61-46(53)58/h16-19,26-32,35-37,39-42,44,55H,15,20-25H2,1-14H3/t28-,29-,30+,31+,32-,35-,36+,37-,39-,40+,41-,42-,44?,48+,49-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	275	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
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50001549 (CHEMBL276217) 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)N3[C@H](CC(C)C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1 Show InChI InChI=1S/C49H76ClN3O13/c1-15-37-49(12)41(52(45(57)66-49)21-20-33-16-18-34(50)19-17-33)30(8)38(54)28(6)24-48(11,60-14)42(65-44-39(55)36(23-29(7)62-44)51(13)27(4)5)31(9)40(32(10)43(56)63-37)64-47(59)53-35(22-26(2)3)25-61-46(53)58/h16-19,26-32,35-37,39-42,44,55H,15,20-25H2,1-14H3/t28-,29-,30+,31+,32-,35-,36+,37-,39-,40+,41-,42-,44?,48+,49-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	692	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