Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM102333'   

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
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM102333 (US8536198, 100) Show SMILES CC1(C)CN(CC[C@]1(O)c1ccc(cc1)[N+]#[C-])C(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C29H33N3O5/c1-28(2)18-32(16-15-29(28,37)21-11-13-22(30-3)14-12-21)26(34)23-9-4-5-10-24(23)31-25(33)19-7-6-8-20(17-19)27(35)36/h6-8,11-14,17,23-24,37H,4-5,9-10,15-16,18H2,1-2H3,(H,31,33)(H,35,36)/t23-,24+,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description CCR1 ligand binding using scintillation proximity assay (SPA).				US Patent US8536198 (2013) BindingDB Entry DOI: 10.7270/Q2HT2MZ9
					More data for this Ligand-Target Pair