BDBM50001574 CHEMBL12204

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)N3CCOC3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1

InChI Key: InChIKey=MSFCVHNYIUKKJK-IKDQNBGBSA-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 = 50001574   

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))	BDBM50001574 (CHEMBL12204) 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)N3CCOC3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1 Show InChI InChI=1S/C45H70ClN3O12/c1-13-34-45(10)38(49(43(54)61-45)19-18-31-14-16-32(46)17-15-31)28(6)35(50)26(4)23-44(9,55-12)39(60-41-36(51)33(22-27(5)57-41)47(11)25(2)3)29(7)37(30(8)40(52)58-34)59-42(53)48-20-21-56-24-48/h14-17,25-30,33-34,36-39,41,51H,13,18-24H2,1-12H3/t26-,27-,28+,29+,30-,33+,34-,36-,37+,38-,39-,41?,44+,45-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	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 was determined against 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))	BDBM50001574 (CHEMBL12204) 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)N3CCOC3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1 Show InChI InChI=1S/C45H70ClN3O12/c1-13-34-45(10)38(49(43(54)61-45)19-18-31-14-16-32(46)17-15-31)28(6)35(50)26(4)23-44(9,55-12)39(60-41-36(51)33(22-27(5)57-41)47(11)25(2)3)29(7)37(30(8)40(52)58-34)59-42(53)48-20-21-56-24-48/h14-17,25-30,33-34,36-39,41,51H,13,18-24H2,1-12H3/t26-,27-,28+,29+,30-,33+,34-,36-,37+,38-,39-,41?,44+,45-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	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 was determined against 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