Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50499065'   

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))	BDBM50499065 (CHEMBL4299466) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C55H63F6N9O8/c1-31(2)21-43(51(76)67-44(26-36-29-63-42-14-9-8-13-40(36)42)50(75)64-28-35-22-37(54(56,57)58)27-38(23-35)55(59,60)61)68-52(77)45-15-10-20-70(45)53(78)46(25-33-11-6-5-7-12-33)69(4)47(72)30-65-48(73)32(3)66-49(74)41(62)24-34-16-18-39(71)19-17-34/h5-9,11-14,16-19,22-23,27,29,31-32,41,43-46,63,71H,10,15,20-21,24-26,28,30,62H2,1-4H3,(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,77)/t32-,41-,43-,44-,45-,46-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting				J Med Chem 58: 8573-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b01170 BindingDB Entry DOI: 10.7270/Q2VT1W34
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50499065 (CHEMBL4299466) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C55H63F6N9O8/c1-31(2)21-43(51(76)67-44(26-36-29-63-42-14-9-8-13-40(36)42)50(75)64-28-35-22-37(54(56,57)58)27-38(23-35)55(59,60)61)68-52(77)45-15-10-20-70(45)53(78)46(25-33-11-6-5-7-12-33)69(4)47(72)30-65-48(73)32(3)66-49(74)41(62)24-34-16-18-39(71)19-17-34/h5-9,11-14,16-19,22-23,27,29,31-32,41,43-46,63,71H,10,15,20-21,24-26,28,30,62H2,1-4H3,(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,77)/t32-,41-,43-,44-,45-,46-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting				J Med Chem 58: 8573-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b01170 BindingDB Entry DOI: 10.7270/Q2VT1W34
					More data for this Ligand-Target Pair