Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50155800'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Substance-P receptor (Homo sapiens (Human))	BDBM50155800 (CHEMBL3780686) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C52H61F6N9O6/c1-30-20-38(68)21-31(2)40(30)26-42(59)46(70)63-43(14-9-17-62-50(60)61)47(71)64-44-24-34-12-7-8-13-35(34)28-67(49(44)73)19-16-45(69)66-18-15-39(41(29-66)33-10-5-4-6-11-33)48(72)65(3)27-32-22-36(51(53,54)55)25-37(23-32)52(56,57)58/h4-8,10-13,20-23,25,39,41-44,68H,9,14-19,24,26-29,59H2,1-3H3,(H,63,70)(H,64,71)(H4,60,61,62)/t39-,41+,42+,43-,44+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method				ACS Med Chem Lett 6: 1209-14 (2015) Article DOI: 10.1021/acsmedchemlett.5b00359 BindingDB Entry DOI: 10.7270/Q2VH5QQJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50155800 (CHEMBL3780686) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C52H61F6N9O6/c1-30-20-38(68)21-31(2)40(30)26-42(59)46(70)63-43(14-9-17-62-50(60)61)47(71)64-44-24-34-12-7-8-13-35(34)28-67(49(44)73)19-16-45(69)66-18-15-39(41(29-66)33-10-5-4-6-11-33)48(72)65(3)27-32-22-36(51(53,54)55)25-37(23-32)52(56,57)58/h4-8,10-13,20-23,25,39,41-44,68H,9,14-19,24,26-29,59H2,1-3H3,(H,63,70)(H,64,71)(H4,60,61,62)/t39-,41+,42+,43-,44+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysis				ACS Med Chem Lett 6: 1209-14 (2015) Article DOI: 10.1021/acsmedchemlett.5b00359 BindingDB Entry DOI: 10.7270/Q2VH5QQJ
					More data for this Ligand-Target Pair