null

SMILES: FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCN2CCOCC2)cc(c1)C(F)(F)F

InChI Key: InChIKey=IXCRAIPNQOAOGF-VWLOTQADSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50030435   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50030435 (CHEMBL420543 | N-[(S)-4-(3,5-Bis-trifluoromethyl-p...) Show SMILES FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCN2CCOCC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H31F6N3O3/c30-28(31,32)21-14-19(15-22(17-21)29(33,34)35)7-8-26(39)25(16-20-18-36-24-5-2-1-4-23(20)24)37-27(40)6-3-9-38-10-12-41-13-11-38/h1-2,4-5,14-15,17-18,25,36H,3,6-13,16H2,(H,37,40)/t25-/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	0.240	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
Substance-P receptor (Homo sapiens (Human))	BDBM50030435 (CHEMBL420543 | N-[(S)-4-(3,5-Bis-trifluoromethyl-p...) Show SMILES FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCN2CCOCC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H31F6N3O3/c30-28(31,32)21-14-19(15-22(17-21)29(33,34)35)7-8-26(39)25(16-20-18-36-24-5-2-1-4-23(20)24)37-27(40)6-3-9-38-10-12-41-13-11-38/h1-2,4-5,14-15,17-18,25,36H,3,6-13,16H2,(H,37,40)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.				J Med Chem 41: 3609-23 (1998) Article DOI: 10.1021/jm9700171 BindingDB Entry DOI: 10.7270/Q2V1260Z
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030435 (CHEMBL420543 | N-[(S)-4-(3,5-Bis-trifluoromethyl-p...) Show SMILES FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCN2CCOCC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H31F6N3O3/c30-28(31,32)21-14-19(15-22(17-21)29(33,34)35)7-8-26(39)25(16-20-18-36-24-5-2-1-4-23(20)24)37-27(40)6-3-9-38-10-12-41-13-11-38/h1-2,4-5,14-15,17-18,25,36H,3,6-13,16H2,(H,37,40)/t25-/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	1.40	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
Substance-P receptor (Homo sapiens (Human))	BDBM50030435 (CHEMBL420543 | N-[(S)-4-(3,5-Bis-trifluoromethyl-p...) Show SMILES FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCN2CCOCC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H31F6N3O3/c30-28(31,32)21-14-19(15-22(17-21)29(33,34)35)7-8-26(39)25(16-20-18-36-24-5-2-1-4-23(20)24)37-27(40)6-3-9-38-10-12-41-13-11-38/h1-2,4-5,14-15,17-18,25,36H,3,6-13,16H2,(H,37,40)/t25-/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	0.170	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