BDBM86225 P51

SMILES: C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O

InChI Key: InChIKey=BBBBSCNUUGJHQH-WCVWWRGPSA-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 = 86225   

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
GPR103 (Homo sapiens (Human))	BDBM86225 (P51) Show SMILES C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O |r,wU:29.29,46.46,15.16,1.0,wD:35.35,57.58,5.12,(-3.35,-6.56,;-3.35,-5.02,;-2.03,-4.23,;-.66,-5.02,;-.66,-6.55,;.66,-4.23,;.66,-2.69,;-.67,-1.92,;-.2,-.45,;-1.44,.45,;-2.69,-.45,;-2.21,-1.92,;1.98,-5.02,;3.35,-4.23,;3.35,-2.69,;4.67,-5.02,;6.05,-4.23,;4.67,-6.55,;6.05,-7.34,;6.05,-8.87,;4.67,-9.67,;7.38,-9.64,;-4.73,-4.23,;-4.73,-2.69,;-6.05,-5.02,;-7.37,-4.23,;-8.74,-5.02,;-8.74,-6.55,;-10.06,-4.23,;-11.38,-5.02,;-11.38,-6.55,;-12.72,-7.32,;-12.76,-4.23,;-12.76,-2.69,;-14.08,-5.02,;-15.45,-4.23,;-15.45,-2.69,;-16.77,-1.9,;-16.77,-.36,;-18.1,.41,;-19.44,-.36,;-19.44,-1.9,;-20.53,.73,;-16.77,-5.02,;-16.77,-6.55,;-18.09,-4.23,;-19.46,-5.02,;-19.46,-6.55,;-20.8,-7.32,;-22.13,-6.55,;-23.47,-7.32,;-23.47,-8.86,;-22.13,-9.63,;-20.8,-8.86,;-20.79,-4.23,;-20.79,-2.69,;-22.11,-5.02,;-23.48,-4.23,;-23.48,-2.69,;-24.8,-1.9,;-24.8,-.37,;-26.13,.4,;-27.47,-.37,;-28.8,.4,;-27.47,-1.91,;-24.8,-4.97,;-24.8,-6.55,;-26.17,-4.23,;-27.51,-5,;-27.51,-6.54,;-28.84,-7.31,;-30.17,-6.54,;-31.51,-7.31,;-31.51,-8.85,;-30.17,-9.62,;-28.84,-8.85,;-28.84,-4.23,;-30.17,-5,;-28.84,-2.69,)| Show InChI InChI=1S/C49H72N18O11S/c1-27(61-45(76)36(22-30-23-56-26-60-30)66-42(73)31(50)16-17-39(69)70)41(72)59-24-38(68)62-37(25-79)47(78)64-33(15-9-19-58-49(54)55)44(75)67-35(21-29-12-6-3-7-13-29)46(77)63-32(14-8-18-57-48(52)53)43(74)65-34(40(51)71)20-28-10-4-2-5-11-28/h2-7,10-13,23,26-27,31-37,79H,8-9,14-22,24-25,50H2,1H3,(H2,51,71)(H,56,60)(H,59,72)(H,61,76)(H,62,68)(H,63,77)(H,64,78)(H,65,74)(H,66,73)(H,67,75)(H,69,70)(H4,52,53,57)(H4,54,55,58)/t27-,31-,32-,33-,34?,35-,36-,37-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									J Biol Chem 278: 27652-7 (2003) Article DOI: 10.1074/jbc.M302945200 BindingDB Entry DOI: 10.7270/Q2ZK5F81
					More data for this Ligand-Target Pair