BDBM50001559 CHEMBL273536

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)N3C(=O)OCC3(C)C)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1

InChI Key: InChIKey=NFPLWIBRFHLKBO-IYNYSKGNSA-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 = 50001559   

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)	BDBM50001559 (CHEMBL273536) 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)N3C(=O)OCC3(C)C)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1 Show InChI InChI=1S/C47H72ClN3O13/c1-15-34-47(12)38(50(42(55)64-47)21-20-31-16-18-32(48)19-17-31)28(6)35(52)26(4)23-46(11,58-14)39(63-41-36(53)33(22-27(5)60-41)49(13)25(2)3)29(7)37(30(8)40(54)61-34)62-44(57)51-43(56)59-24-45(51,9)10/h16-19,25-30,33-34,36-39,41,53H,15,20-24H2,1-14H3/t26-,27-,28+,29+,30-,33+,34-,36-,37+,38-,39-,41?,46+,47-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	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))	BDBM50001559 (CHEMBL273536) 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)N3C(=O)OCC3(C)C)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1 Show InChI InChI=1S/C47H72ClN3O13/c1-15-34-47(12)38(50(42(55)64-47)21-20-31-16-18-32(48)19-17-31)28(6)35(52)26(4)23-46(11,58-14)39(63-41-36(53)33(22-27(5)60-41)49(13)25(2)3)29(7)37(30(8)40(54)61-34)62-44(57)51-43(56)59-24-45(51,9)10/h16-19,25-30,33-34,36-39,41,53H,15,20-24H2,1-14H3/t26-,27-,28+,29+,30-,33+,34-,36-,37+,38-,39-,41?,46+,47-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	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