BDBM50001573 CHEMBL273387

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](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1

InChI Key: InChIKey=XMFQZKXJPHKZLS-CWDGTPDGSA-N

Data: 3 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 3 hits for monomerid = 50001573   

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)	BDBM50001573 (CHEMBL273387) 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](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1 Show InChI InChI=1S/C49H79ClN2O13/c1-16-36-49(12)41(52(46(57)65-49)22-21-33-17-19-34(50)20-18-33)29(6)38(53)27(4)24-48(11,59-15)43(64-45-39(54)35(23-28(5)60-45)51(13)26(2)3)30(7)40(31(8)44(56)62-36)63-37-25-47(10,58-14)42(55)32(9)61-37/h17-20,26-32,35-37,39-43,45,54-55H,16,21-25H2,1-15H3/t27-,28-,29+,30+,31-,32+,35+,36-,37?,39-,40+,41-,42+,43-,45?,47-,48+,49-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	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))	BDBM50001573 (CHEMBL273387) 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](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1 Show InChI InChI=1S/C49H79ClN2O13/c1-16-36-49(12)41(52(46(57)65-49)22-21-33-17-19-34(50)20-18-33)29(6)38(53)27(4)24-48(11,59-15)43(64-45-39(54)35(23-28(5)60-45)51(13)26(2)3)30(7)40(31(8)44(56)62-36)63-37-25-47(10,58-14)42(55)32(9)61-37/h17-20,26-32,35-37,39-43,45,54-55H,16,21-25H2,1-15H3/t27-,28-,29+,30+,31-,32+,35+,36-,37?,39-,40+,41-,42+,43-,45?,47-,48+,49-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against human luteinizing releasing hormone receptor cloned in CHO cells				Bioorg Med Chem Lett 14: 1599-602 (2004) BindingDB Entry DOI: 10.7270/Q27083NK
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50001573 (CHEMBL273387) 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](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1 Show InChI InChI=1S/C49H79ClN2O13/c1-16-36-49(12)41(52(46(57)65-49)22-21-33-17-19-34(50)20-18-33)29(6)38(53)27(4)24-48(11,59-15)43(64-45-39(54)35(23-28(5)60-45)51(13)26(2)3)30(7)40(31(8)44(56)62-36)63-37-25-47(10,58-14)42(55)32(9)61-37/h17-20,26-32,35-37,39-43,45,54-55H,16,21-25H2,1-15H3/t27-,28-,29+,30+,31-,32+,35+,36-,37?,39-,40+,41-,42+,43-,45?,47-,48+,49-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	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