BDBM50081660 (JMV 1116) H-D-Arg-Arg-Pro-Hyp-Gly-Thi-Ser-D-BT-Arg-OH::CHEMBL428148

SMILES: N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)NC1CSc2ccccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C1=O

InChI Key: InChIKey=MXJQZOZFDCAXRY-LUNIDKMPSA-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 = 50081660   

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
BDKRB2 (Homo sapiens (Human))	BDBM50081660 ((JMV 1116) H-D-Arg-Arg-Pro-Hyp-Gly-Thi-Ser-D-BT-Ar...) Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)NC1CSc2ccccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C51H77N19O13S2/c52-29(9-3-15-59-49(53)54)41(75)65-30(10-4-16-60-50(55)56)45(79)68-18-6-13-36(68)47(81)69-23-27(72)20-37(69)44(78)62-22-39(73)64-32(21-28-8-7-19-84-28)42(76)66-33(25-71)43(77)67-34-26-85-38-14-2-1-12-35(38)70(46(34)80)24-40(74)63-31(48(82)83)11-5-17-61-51(57)58/h1-2,7-8,12,14,19,27,29-34,36-37,71-72H,3-6,9-11,13,15-18,20-26,52H2,(H,62,78)(H,63,74)(H,64,73)(H,65,75)(H,66,76)(H,67,77)(H,82,83)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t27?,29-,30+,31-,32+,33+,34?,36+,37+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£s Montpellier I et II Curated by ChEMBL					Assay Description Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement.				J Med Chem 42: 4193-201 (1999) BindingDB Entry DOI: 10.7270/Q2222VFV
					More data for this Ligand-Target Pair