BDBM50020096 CHEMBL3288163

SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12

InChI Key InChIKey=AAOQXJXMHFUVEW-PSDCGHEKSA-N

Data  2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50020096   

TargetNeuromedin-K receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50020096(CHEMBL3288163)
Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C34H38Cl2FN5O4.ClH/c1-33(23-8-10-26(35)27(36)20-23,31(44)40-29(30(43)39-16-15-38)22-6-4-3-5-7-22)12-17-42-18-13-34(14-19-42)25-21-24(37)9-11-28(25)41(2)32(45)46-34;/h3-11,20-21,29H,12-19,38H2,1-2H3,(H,39,43)(H,40,44);1H/t29-,33+;/m0./s1
Affinity DataKi:  40nMAssay Description:Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsMore data for this Ligand-Target Pair
TargetSubstance-P receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50020096(CHEMBL3288163)
Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C34H38Cl2FN5O4.ClH/c1-33(23-8-10-26(35)27(36)20-23,31(44)40-29(30(43)39-16-15-38)22-6-4-3-5-7-22)12-17-42-18-13-34(14-19-42)25-21-24(37)9-11-28(25)41(2)32(45)46-34;/h3-11,20-21,29H,12-19,38H2,1-2H3,(H,39,43)(H,40,44);1H/t29-,33+;/m0./s1
Affinity DataKi:  251nMAssay Description:Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cellsMore data for this Ligand-Target Pair