Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50081659'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50081659 ((3-(Ser-Thi-Gly-Hyp-Pro-Arg-Lys-H)-4-oxo-3,4-dihyd...) Show SMILES NCCCC[C@H](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/C51H77N17O13S2/c52-16-4-3-10-30(53)42(73)63-31(11-5-17-58-50(54)55)46(77)66-19-7-14-37(66)48(79)67-24-28(70)21-38(67)45(76)60-23-40(71)62-33(22-29-9-8-20-82-29)43(74)64-34(26-69)44(75)65-35-27-83-39-15-2-1-13-36(39)68(47(35)78)25-41(72)61-32(49(80)81)12-6-18-59-51(56)57/h1-2,8-9,13,15,20,28,30-35,37-38,69-70H,3-7,10-12,14,16-19,21-27,52-53H2,(H,60,76)(H,61,72)(H,62,71)(H,63,73)(H,64,74)(H,65,75)(H,80,81)(H4,54,55,58)(H4,56,57,59)/t28?,30-,31-,32+,33-,34-,35?,37-,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0700	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