BDBM50130886 CHEMBL437288::alpha-FITC-Gly(Pip)-Pro-Gly(PipAm)-Arg-Pro-Tyr--tBuGly-Leu-OH

SMILES: CC(C)CC(NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)C1OC2(C3C=CC(=O)CC3Oc3cc(O)ccc23)c2ccc(NC(N)=S)cc12)C1CCNCC1)C1CCC(CC1)C(N)=N)C(C)(C)C)C(O)=O

InChI Key: InChIKey=MBGDSGXTFLXGMM-HLKMHSGQSA-N

Data: 1 IC50

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 = 50130886   

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
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human))	BDBM50130886 (CHEMBL437288 | alpha-FITC-Gly(Pip)-Pro-Gly(PipAm)-...) Show SMILES CC(C)CC(NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)C1OC2(C3C=CC(=O)CC3Oc3cc(O)ccc23)c2ccc(NC(N)=S)cc12)C1CCNCC1)C1CCC(CC1)C(N)=N)C(C)(C)C)C(O)=O |wU:53.56,c:64,(15.26,-25.33,;16.74,-25.75,;17.12,-27.24,;17.84,-24.66,;19.36,-24.8,;20.25,-23.53,;19.6,-22.14,;18.06,-22,;20.48,-20.87,;19.82,-19.48,;18.29,-19.34,;17.4,-20.61,;17.64,-17.96,;16.1,-17.82,;14.77,-18.59,;13.44,-17.79,;12.1,-18.55,;12.09,-20.09,;10.75,-20.85,;13.42,-20.87,;14.75,-20.11,;18.52,-16.7,;17.86,-15.3,;16.33,-15.17,;18.73,-14.04,;20.27,-14,;20.73,-12.53,;19.47,-11.66,;18.24,-12.59,;16.77,-12.13,;15.63,-13.2,;16.42,-10.64,;17.54,-9.59,;19.01,-10.04,;20.13,-8.99,;21.62,-9.43,;22.74,-8.38,;22.39,-6.89,;24.21,-8.84,;14.95,-10.2,;14.6,-8.7,;15.72,-7.65,;13.13,-8.24,;12.78,-6.75,;11.31,-6.3,;10.17,-7.35,;10.96,-4.8,;11.97,-3.64,;11.18,-2.32,;9.68,-2.67,;9.55,-4.21,;8.22,-5,;8.25,-6.54,;6.88,-4.25,;5.56,-5.04,;4.21,-4.3,;4.58,-2.8,;2.74,-4.72,;1.8,-3.48,;.35,-3.97,;1.1,-2.62,;2.64,-2.57,;3.39,-1.22,;2.57,.11,;3.31,1.47,;1.03,.09,;.29,-1.29,;-1.26,-1.33,;-2,-2.68,;-3.54,-2.71,;-4.28,-4.07,;-5.83,-4.09,;-3.49,-5.39,;-1.94,-5.36,;-1.2,-4.01,;.38,-5.53,;-.76,-6.58,;-.41,-8.08,;1.07,-8.52,;1.42,-10.04,;.29,-11.08,;.64,-12.6,;-1.19,-10.64,;2.19,-7.47,;1.85,-5.98,;6.86,-2.71,;8.17,-1.92,;8.16,-.38,;6.82,.37,;5.49,-.43,;5.51,-1.97,;11.99,-9.29,;12.36,-10.78,;11.22,-11.83,;9.76,-11.39,;9.41,-9.89,;10.54,-8.85,;8.63,-12.44,;8.96,-13.93,;7.16,-11.97,;22.01,-20.99,;22.67,-22.39,;22.88,-19.74,;23.49,-21.39,;20.03,-26.19,;19.14,-27.45,;21.55,-26.31,)| Show InChI InChI=1S/C75H102N16O15S/c1-38(2)33-53(71(103)104)86-68(100)61(74(3,4)5)89-63(95)52(34-39-12-19-44(92)20-13-39)85-64(96)54-10-7-31-90(54)69(101)51(9-6-28-82-72(78)79)84-66(98)58(40-14-16-42(17-15-40)62(76)77)87-65(97)55-11-8-32-91(55)70(102)59(41-26-29-81-30-27-41)88-67(99)60-47-35-43(83-73(80)107)18-23-48(47)75(106-60)49-24-21-45(93)36-56(49)105-57-37-46(94)22-25-50(57)75/h12-13,18-25,35-36,38,40-42,50-55,57-61,81,92-93H,6-11,14-17,26-34,37H2,1-5H3,(H3,76,77)(H,84,98)(H,85,96)(H,86,100)(H,87,97)(H,88,99)(H,89,95)(H,103,104)(H4,78,79,82)(H3,80,83,107)/t40?,42?,50?,51?,52?,53?,54?,55?,57?,58?,59-,60?,61?,75?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide				J Med Chem 46: 3403-11 (2003) Article DOI: 10.1021/jm030081k BindingDB Entry DOI: 10.7270/Q2222VHR
					More data for this Ligand-Target Pair