BDBM50085716 CHEMBL405420::Cyclo (5-8) [Ac-D Nal, Cpa, D Trp, Asp, Asp, D Glu,D Arg, Leu, D Lys, Pro, D Ala]GnRH::Cyclo (5-8) [Ac-D Nal, Cpa, D Trp, Asp, Glu, D Arg, Leu, D Lys, Pro, D Ala]GnRH

SMILES: CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O

InChI Key: InChIKey=FATJWYJOBYMHIG-RBKNUOTDSA-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 = 50085716   

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)	BDBM50085716 (CHEMBL405420 | Cyclo (5-8) [Ac-D Nal, Cpa, D Trp, ...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O Show InChI InChI=1S/C61H87ClN16O14/c1-6-39(70-34(5)79)52(84)75-45(28-35-18-20-37(62)21-19-35)56(88)76-46(29-36-31-68-40-14-8-7-13-38(36)40)57(89)77-47(30-50(81)82)58(90)72-42-22-23-49(80)66-24-10-9-15-43(60(92)78-26-12-17-48(78)59(91)69-33(4)51(63)83)73-55(87)44(27-32(2)3)74-53(85)41(71-54(42)86)16-11-25-67-61(64)65/h7-8,13-14,18-21,31-33,39,41-48,68H,6,9-12,15-17,22-30H2,1-5H3,(H2,63,83)(H,66,80)(H,69,91)(H,70,79)(H,71,86)(H,72,90)(H,73,87)(H,74,85)(H,75,84)(H,76,88)(H,77,89)(H,81,82)(H4,64,65,67)/t33-,39-,41+,42+,43-,44-,45-,46-,47-,48+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085716 (CHEMBL405420 | Cyclo (5-8) [Ac-D Nal, Cpa, D Trp, ...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O Show InChI InChI=1S/C61H87ClN16O14/c1-6-39(70-34(5)79)52(84)75-45(28-35-18-20-37(62)21-19-35)56(88)76-46(29-36-31-68-40-14-8-7-13-38(36)40)57(89)77-47(30-50(81)82)58(90)72-42-22-23-49(80)66-24-10-9-15-43(60(92)78-26-12-17-48(78)59(91)69-33(4)51(63)83)73-55(87)44(27-32(2)3)74-53(85)41(71-54(42)86)16-11-25-67-61(64)65/h7-8,13-14,18-21,31-33,39,41-48,68H,6,9-12,15-17,22-30H2,1-5H3,(H2,63,83)(H,66,80)(H,69,91)(H,70,79)(H,71,86)(H,72,90)(H,73,87)(H,74,85)(H,75,84)(H,76,88)(H,77,89)(H,81,82)(H4,64,65,67)/t33-,39-,41+,42+,43-,44-,45-,46-,47-,48+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair