BDBM85199 CAS_132699-74-2::Preprogalanin-(1-30)

SMILES: CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)NC(CCCCN)C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NCC(N)=O

InChI Key: InChIKey=ISAXHEUFXWSVOK-UHFFFAOYSA-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 = 85199   

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
GALR3 (RAT)	BDBM85199 (CAS_132699-74-2 | Preprogalanin-(1-30)) Show SMILES CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)NC(CCCCN)C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NCC(N)=O |(19.65,4.85,;18.2,4.33,;17.93,2.81,;19.11,1.82,;16.48,2.29,;16.21,.77,;17.39,-.22,;18.84,.3,;17.12,-1.74,;15.67,-2.26,;18.3,-2.73,;18.03,-4.24,;16.58,-4.77,;19.21,-5.24,;18.94,-6.75,;17.49,-7.28,;16.22,-6.41,;15,-7.36,;15.52,-8.81,;17.06,-8.76,;20.66,-4.71,;21.83,-5.7,;21.56,-7.22,;23.28,-5.18,;23.71,-3.7,;25.25,-3.65,;25.77,-5.1,;24.56,-6.04,;24.61,-7.58,;23.3,-8.4,;25.97,-8.31,;26.02,-9.85,;27.38,-10.57,;28.68,-9.76,;27.43,-12.11,;28.79,-12.84,;30.09,-12.02,;31.45,-12.75,;30.04,-10.48,;26.12,-12.93,;26.17,-14.46,;27.7,-14.68,;25.22,-15.68,;23.72,-15.99,;22.69,-14.85,;21.18,-15.17,;23.16,-13.38,;25.8,-17.11,;24.85,-18.32,;23.32,-18.1,;25.42,-19.75,;24.47,-20.96,;22.95,-20.74,;22,-21.95,;20.47,-21.74,;19.9,-20.31,;18.37,-20.09,;20.85,-19.1,;22.37,-19.31,;26.95,-19.96,;27.52,-21.39,;26.57,-22.6,;29.04,-21.61,;29.62,-23.04,;31.14,-23.26,;32.09,-22.04,;31.72,-24.68,;30.77,-25.9,;33.24,-24.9,;33.82,-26.33,;32.87,-27.54,;35.34,-26.55,;36.29,-25.34,;35.72,-23.91,;35.92,-27.98,;37.44,-28.19,;38.39,-26.98,;38.02,-29.62,;39.54,-29.84,;40.49,-28.63,;42.01,-28.84,;39.92,-27.2,;37.06,-30.83,;37.64,-32.26,;39.15,-31.95,;37.16,-33.73,;35.85,-34.54,;34.5,-33.82,;33.19,-34.63,;34.44,-32.28,;38.19,-34.87,;37.71,-36.34,;36.2,-36.65,;38.74,-37.48,;38.26,-38.95,;39.29,-40.09,;40.8,-39.78,;38.81,-41.56,;37.3,-41.87,;36.83,-43.34,;37.72,-44.58,;36.83,-45.82,;35.37,-45.35,;34.03,-46.12,;32.7,-45.35,;32.7,-43.81,;34.03,-43.04,;35.37,-43.81,;39.84,-42.7,;41.33,-42.3,;41.73,-40.82,;42.42,-43.39,;43.9,-42.99,;40.25,-37.17,;41.27,-38.31,;40.72,-35.7,;15.31,3.28,;13.86,2.76,;15.58,4.8,;14.4,5.79,;12.95,5.26,;11.77,6.26,;10.32,5.73,;12.04,7.77,;14.67,7.3,;13.49,8.3,;16.12,7.83,;16.39,9.34,;14.94,9.87,;14.68,11.39,;13.23,11.92,;15.86,12.38,;17.84,9.87,;19.01,8.88,;18.61,11.2,;20.15,11.2,;20.92,9.86,;22.46,9.86,;23.36,11.1,;24.83,10.63,;24.82,9.09,;23.36,8.61,;20.92,12.53,;22.46,12.53,;20.15,13.87,;20.92,15.2,;22.46,15.2,;23.24,16.53,;24.78,16.52,;25.55,17.86,;27.09,17.85,;27.86,19.19,;27.86,16.52,;20.16,16.53,;18.62,16.54,;20.93,17.87,;20.16,19.2,;18.62,19.2,;17.85,20.54,;20.93,20.53,;22.47,20.53,;20.17,21.87,;20.94,23.2,;22.48,23.2,;23.25,24.53,;22.48,25.86,;23.26,27.2,;24.8,27.19,;25.56,25.86,;24.79,24.53,;20.17,24.54,;20.94,25.87,;18.63,24.54,;17.86,25.87,;18.64,27.21,;17.87,28.54,;16.32,25.88,;15.55,24.54,;15.56,27.21,;14.02,27.21,;13.24,25.88,;11.7,25.88,;10.93,24.55,;10.93,27.22,;13.25,28.55,;11.71,28.55,;14.02,29.88,;13.25,31.22,;11.71,31.22,;10.94,32.55,;9.4,32.56,;8.64,33.89,;7.1,33.89,;14.02,32.55,;15.56,32.55,;13.26,33.88,;14.03,35.22,;15.57,35.21,;16.34,36.55,;15.72,37.95,;16.86,38.98,;18.2,38.21,;17.87,36.7,;13.26,36.55,;14.03,37.88,;11.72,36.55,;10.95,37.89,;9.41,37.89,;8.64,36.56,;8.65,39.23,;7.11,39.23,;6.33,37.9,;4.79,37.9,;4.02,36.57,;4.03,39.23,;6.34,40.56,;4.8,40.57,;7.11,41.9,;6.02,42.98,;4.48,42.98,;3.71,44.32,;3.71,41.65,;6.42,44.47,;7.91,44.87,;5.33,45.56,;5.73,47.05,;4.64,48.14,;5.04,49.63,;3.15,47.74,)| Show InChI InChI=1S/C143H214N44O42/c1-15-72(10)115(141(228)180-101(52-114(203)204)133(220)176-98(49-106(146)194)130(217)174-97(48-82-57-153-67-162-82)129(216)169-87(30-23-37-154-143(149)150)123(210)181-103(63-189)137(224)172-93(43-77-25-17-16-18-26-77)128(215)183-104(64-190)138(225)177-100(51-113(201)202)132(219)168-86(29-21-22-36-144)122(209)173-95(46-80-55-151-65-160-80)121(208)158-60-111(199)166-89(40-69(4)5)134(221)185-116(75(13)191)140(227)156-58-108(148)196)184-119(206)74(12)164-124(211)96(47-81-56-152-66-161-81)178-139(226)105-31-24-38-187(105)112(200)61-159-120(207)88(39-68(2)3)170-125(212)90(41-70(6)7)171-127(214)92(44-78-32-34-83(193)35-33-78)167-110(198)59-157-118(205)73(11)163-136(223)102(62-188)182-131(218)99(50-107(147)195)175-126(213)91(42-71(8)9)179-142(229)117(76(14)192)186-135(222)94(165-109(197)53-145)45-79-54-155-85-28-20-19-27-84(79)85/h16-20,25-28,32-35,54-57,65-76,86-105,115-117,155,188-193H,15,21-24,29-31,36-53,58-64,144-145H2,1-14H3,(H2,146,194)(H2,147,195)(H2,148,196)(H,151,160)(H,152,161)(H,153,162)(H,156,227)(H,157,205)(H,158,208)(H,159,207)(H,163,223)(H,164,211)(H,165,197)(H,166,199)(H,167,198)(H,168,219)(H,169,216)(H,170,212)(H,171,214)(H,172,224)(H,173,209)(H,174,217)(H,175,213)(H,176,220)(H,177,225)(H,178,226)(H,179,229)(H,180,228)(H,181,210)(H,182,218)(H,183,215)(H,184,206)(H,185,221)(H,186,222)(H,201,202)(H,203,204)(H4,149,150,154)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+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 272: 31949-52 (1997) Article DOI: 10.1074/jbc.272.51.31949 BindingDB Entry DOI: 10.7270/Q21Z42ZG
					More data for this Ligand-Target Pair