BDBM50103478 CHEMBL406670::Pmp-Tyr(Me)-Ile-Thr-Asn-Cys-Pro-Orn-phe-NH2

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)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)NCC(=O)NC(CCCN)C(=O)NC(Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O

InChI Key: InChIKey=OAAKYAPUWHOIKW-JOGZXGAHSA-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 = 50103478   

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))	BDBM50103478 (CHEMBL406670 | Pmp-Tyr(Me)-Ile-Thr-Asn-Cys-Pro-Orn...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)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)NCC(=O)NC(CCCN)C(=O)NC(Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O Show InChI InChI=1S/C54H80IN15O13S2/c1-5-29(2)45(67-51(80)38(23-31-11-14-33(83-4)15-12-31)63-43(74)26-54(18-7-6-8-19-54)85-21-17-41(57)72)52(81)68-46(30(3)71)53(82)65-39(25-42(58)73)50(79)66-40(28-84)48(77)61-27-44(75)62-36(10-9-20-56)49(78)64-37(47(59)76)24-32-13-16-35(69-70-60)34(55)22-32/h11-16,22,29-30,36-40,45-46,71,84H,5-10,17-21,23-28,56H2,1-4H3,(H2,57,72)(H2,58,73)(H2,59,76)(H,61,77)(H,62,75)(H,63,74)(H,64,78)(H,65,82)(H,66,79)(H,67,80)(H,68,81)/t29-,30+,36?,37?,38-,39-,40-,45-,46-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.30	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