BDBM50030429 CHEMBL173396::N-[(S)-4-(3,5-Bis-trifluoromethyl-phenyl)-1-(1H-indol-3-ylmethyl)-2-oxo-butyl]-2-pyridin-4-yl-acetamide

SMILES: FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccncc2)cc(c1)C(F)(F)F

InChI Key: InChIKey=RLYXXIQMNMOLJZ-DEOSSOPVSA-N

Data: 3 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 3 hits for monomerid = 50030429   

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 1 receptor (Homo sapiens (Human))	BDBM50030429 (CHEMBL173396 | N-[(S)-4-(3,5-Bis-trifluoromethyl-p...) Show SMILES FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccncc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H23F6N3O2/c29-27(30,31)20-11-18(12-21(15-20)28(32,33)34)5-6-25(38)24(37-26(39)13-17-7-9-35-10-8-17)14-19-16-36-23-4-2-1-3-22(19)23/h1-4,7-12,15-16,24,36H,5-6,13-14H2,(H,37,39)/t24-/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, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against Gln165Ala mutant type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr...				J Med Chem 38: 934-41 (1995) BindingDB Entry DOI: 10.7270/Q2R78D8F
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50030429 (CHEMBL173396 | N-[(S)-4-(3,5-Bis-trifluoromethyl-p...) Show SMILES FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccncc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H23F6N3O2/c29-27(30,31)20-11-18(12-21(15-20)28(32,33)34)5-6-25(38)24(37-26(39)13-17-7-9-35-10-8-17)14-19-16-36-23-4-2-1-3-22(19)23/h1-4,7-12,15-16,24,36H,5-6,13-14H2,(H,37,39)/t24-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P.				J Med Chem 38: 934-41 (1995) BindingDB Entry DOI: 10.7270/Q2R78D8F
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50030429 (CHEMBL173396 | N-[(S)-4-(3,5-Bis-trifluoromethyl-p...) Show SMILES FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccncc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H23F6N3O2/c29-27(30,31)20-11-18(12-21(15-20)28(32,33)34)5-6-25(38)24(37-26(39)13-17-7-9-35-10-8-17)14-19-16-36-23-4-2-1-3-22(19)23/h1-4,7-12,15-16,24,36H,5-6,13-14H2,(H,37,39)/t24-/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against wild type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance...				J Med Chem 38: 934-41 (1995) BindingDB Entry DOI: 10.7270/Q2R78D8F
					More data for this Ligand-Target Pair