BDBM50103477 CHEMBL386180::Pmp-Tyr-Ile-Thr-Asn-Cys-Pro-Orn-phe(3I,4N3)-NH2

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1(CCCCC1)SCCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCCC1C(=O)NC(CCCN)C(=O)NC(Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O

InChI Key: InChIKey=ORTRBWOVPIJDMA-NOUZCHANSA-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 = 50103477   

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
Oxytocin receptor (Homo sapiens (Human))	BDBM50103477 (CHEMBL386180 | Pmp-Tyr-Ile-Thr-Asn-Cys-Pro-Orn-phe...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1(CCCCC1)SCCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCCC1C(=O)NC(CCCN)C(=O)NC(Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O Show InChI InChI=1S/C56H82IN15O13S2/c1-4-30(2)46(68-51(81)39(25-32-12-15-34(74)16-13-32)63-45(77)28-56(19-6-5-7-20-56)87-23-18-43(59)75)53(83)69-47(31(3)73)54(84)66-40(27-44(60)76)50(80)67-41(29-86)55(85)72-22-9-11-42(72)52(82)64-37(10-8-21-58)49(79)65-38(48(61)78)26-33-14-17-36(70-71-62)35(57)24-33/h12-17,24,30-31,37-42,46-47,73-74,86H,4-11,18-23,25-29,58H2,1-3H3,(H2,59,75)(H2,60,76)(H2,61,78)(H,63,77)(H,64,82)(H,65,79)(H,66,84)(H,67,80)(H,68,81)(H,69,83)/t30-,31+,37?,38?,39-,40-,41-,42?,46-,47-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards OT receptor in CHO cells expressing the human OT receptor				J Med Chem 44: 3022-30 (2001) BindingDB Entry DOI: 10.7270/Q29S1Q9F
					More data for this Ligand-Target Pair