BDBM50102447 Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Ac)]-D-[Amf(Cbm)]-Leu-ILys-Pro-DAla-NH2::CHEMBL438018

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(CNC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

InChI Key: InChIKey=BSRUGSNIEQHRCC-RIFWNYGWSA-N

Data: 1 IC50  1 Kd

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 = 50102447   

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 1 (GnRHR1) (Homo sapiens (Human))	BDBM50102447 (Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Ac)]-D-[Amf(C...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(CNC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O Show InChI InChI=1S/C80H103ClN16O14/c1-46(2)36-62(71(102)90-61(17-10-11-34-85-47(3)4)79(110)97-35-13-18-69(97)78(109)87-48(5)70(82)101)91-73(104)64(38-51-19-21-54(22-20-51)44-86-80(83)111)93-75(106)66(40-53-26-31-60(32-27-53)88-49(6)99)95-77(108)68(45-98)96-76(107)67(42-56-14-12-33-84-43-56)94-74(105)65(39-52-24-29-59(81)30-25-52)92-72(103)63(89-50(7)100)41-55-23-28-57-15-8-9-16-58(57)37-55/h8-9,12,14-16,19-33,37,43,46-48,61-69,85,98H,10-11,13,17-18,34-36,38-42,44-45H2,1-7H3,(H2,82,101)(H,87,109)(H,88,99)(H,89,100)(H,90,102)(H,91,104)(H,92,103)(H,93,106)(H,94,105)(H,95,108)(H,96,107)(H3,83,86,111)/t48-,61+,62+,63-,64+,65-,66+,67-,68+,69+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Competitive antagonism of GnRH-induced response in the reporter gene assay				J Med Chem 44: 453-67 (2001) BindingDB Entry DOI: 10.7270/Q28G8MF7
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50102447 (Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Ac)]-D-[Amf(C...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(CNC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O Show InChI InChI=1S/C80H103ClN16O14/c1-46(2)36-62(71(102)90-61(17-10-11-34-85-47(3)4)79(110)97-35-13-18-69(97)78(109)87-48(5)70(82)101)91-73(104)64(38-51-19-21-54(22-20-51)44-86-80(83)111)93-75(106)66(40-53-26-31-60(32-27-53)88-49(6)99)95-77(108)68(45-98)96-76(107)67(42-56-14-12-33-84-43-56)94-74(105)65(39-52-24-29-59(81)30-25-52)92-72(103)63(89-50(7)100)41-55-23-28-57-15-8-9-16-58(57)37-55/h8-9,12,14-16,19-33,37,43,46-48,61-69,85,98H,10-11,13,17-18,34-36,38-42,44-45H2,1-7H3,(H2,82,101)(H,87,109)(H,88,99)(H,89,100)(H,90,102)(H,91,104)(H,92,103)(H,93,106)(H,94,105)(H,95,108)(H,96,107)(H3,83,86,111)/t48-,61+,62+,63-,64+,65-,66+,67-,68+,69+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells				J Med Chem 44: 453-67 (2001) BindingDB Entry DOI: 10.7270/Q28G8MF7
					More data for this Ligand-Target Pair