BDBM50071473 1'N-[1-[3,5-dimethylbenzyl(methyl)carbamoyl]-2-(1H-3-indolyl)-(1S)-ethyl]-1-methylsulfanylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1'-carboxamide::CHEMBL74237

SMILES: CSN1CC2(CCN(CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)Cc2cc(C)cc(C)c2)c2ccccc12

InChI Key: InChIKey=YAZQHTDRBQHAQK-HKBQPEDESA-N

Data: 2 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 2 hits for monomerid = 50071473   

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
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50071473 (1'N-[1-[3,5-dimethylbenzyl(methyl)carbamoyl]-2-(1H...) Show SMILES CSN1CC2(CCN(CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)Cc2cc(C)cc(C)c2)c2ccccc12 Show InChI InChI=1S/C35H41N5O2S/c1-24-17-25(2)19-26(18-24)22-38(3)33(41)31(20-27-21-36-30-11-7-5-9-28(27)30)37-34(42)39-15-13-35(14-16-39)23-40(43-4)32-12-8-6-10-29(32)35/h5-12,17-19,21,31,36H,13-16,20,22-23H2,1-4H3,(H,37,42)/t31-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined				Bioorg Med Chem Lett 8: 2259-62 (1999) BindingDB Entry DOI: 10.7270/Q2Z31XTN
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50071473 (1'N-[1-[3,5-dimethylbenzyl(methyl)carbamoyl]-2-(1H...) Show SMILES CSN1CC2(CCN(CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)Cc2cc(C)cc(C)c2)c2ccccc12 Show InChI InChI=1S/C35H41N5O2S/c1-24-17-25(2)19-26(18-24)22-38(3)33(41)31(20-27-21-36-30-11-7-5-9-28(27)30)37-34(42)39-15-13-35(14-16-39)23-40(43-4)32-12-8-6-10-29(32)35/h5-12,17-19,21,31,36H,13-16,20,22-23H2,1-4H3,(H,37,42)/t31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cloned human NK1 (Neurokinin 1) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined				Bioorg Med Chem Lett 8: 2259-62 (1999) BindingDB Entry DOI: 10.7270/Q2Z31XTN
					More data for this Ligand-Target Pair