BDBM50139900 Ac-(Glu-Asp-His-Lys)-Asn-Arg-Lys-Leu-Nle-Glu-Ile-Ile-NH2::CHEMBL427945

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O

InChI Key: InChIKey=LXCZYNWIALDZJZ-NCTWMZLKSA-N

Data: 1 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 1 hit for monomerid = 50139900   

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
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50139900 (Ac-(Glu-Asp-His-Lys)-Asn-Arg-Lys-Leu-Nle-Glu-Ile-I...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O Show InChI InChI=1S/C71H120N20O19/c1-10-39(7)58(60(74)100)90-70(110)59(40(8)11-2)91-66(106)48(25-27-56(96)97)82-61(101)43(38(5)6)19-12-13-23-53(93)49(31-37(3)4)86-63(103)44(20-14-16-28-72)83-62(102)46(22-18-30-79-71(75)76)85-68(108)51(33-54(73)94)88-64(104)45-21-15-17-29-78-55(95)26-24-47(81-41(9)92)65(105)89-52(34-57(98)99)69(109)87-50(67(107)84-45)32-42-35-77-36-80-42/h35-40,43-52,58-59H,10-34,72H2,1-9H3,(H2,73,94)(H2,74,100)(H,77,80)(H,78,95)(H,81,92)(H,82,101)(H,83,102)(H,84,107)(H,85,108)(H,86,103)(H,87,109)(H,88,104)(H,89,105)(H,90,110)(H,91,106)(H,96,97)(H,98,99)(H4,75,76,79)/t39-,40-,43?,44-,45-,46-,47+,48-,49-,50-,51-,52+,58-,59-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.				J Med Chem 47: 1075-8 (2004) Article DOI: 10.1021/jm034180+ BindingDB Entry DOI: 10.7270/Q28P5ZXK
					More data for this Ligand-Target Pair