BDBM50350051 CHEMBL1813443

SMILES: CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCC(O)CC1

InChI Key: InChIKey=QFVJKNCYPTUPMB-RNBBJZODSA-N

Data: 2 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 2 hits for monomerid = 50350051   

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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350051 (CHEMBL1813443) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCC(O)CC1 |r,wU:7.37,34.38,(27.09,6.26,;26.32,4.93,;27.08,3.59,;26.3,2.26,;27.07,.92,;28.61,.91,;29.39,2.24,;29.37,-.43,;28.59,-1.76,;27.06,-1.75,;26.28,-3.08,;26.29,-.41,;25.52,-1.74,;23.99,-1.74,;23.23,-.4,;21.69,-.4,;20.92,.93,;19.38,.94,;18.61,2.27,;19.39,3.59,;18.62,4.93,;17.08,4.93,;16.31,3.61,;14.78,3.61,;14.02,4.94,;14.79,6.26,;16.31,6.26,;12.48,4.95,;11.71,6.29,;11.71,3.62,;20.92,3.6,;21.69,2.27,;23.99,.94,;25.53,.93,;30.91,-.44,;31.69,.89,;31.67,-1.78,;30.89,-3.11,;31.64,-4.44,;33.18,-4.46,;33.93,-5.81,;33.96,-3.14,;33.21,-1.79,)| Show InChI InChI=1S/C33H43N3O7/c1-2-3-18-36-30(39)28(29(38)23-6-10-25(37)11-7-23)34-32(42)33(36)16-19-35(20-17-33)21-22-4-12-26(13-5-22)43-27-14-8-24(9-15-27)31(40)41/h4-5,8-9,12-15,23,25,28-29,37-38H,2-3,6-7,10-11,16-21H2,1H3,(H,34,42)(H,40,41)/t23?,25?,28-,29+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350051 (CHEMBL1813443) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCC(O)CC1 |r,wU:7.37,34.38,(27.09,6.26,;26.32,4.93,;27.08,3.59,;26.3,2.26,;27.07,.92,;28.61,.91,;29.39,2.24,;29.37,-.43,;28.59,-1.76,;27.06,-1.75,;26.28,-3.08,;26.29,-.41,;25.52,-1.74,;23.99,-1.74,;23.23,-.4,;21.69,-.4,;20.92,.93,;19.38,.94,;18.61,2.27,;19.39,3.59,;18.62,4.93,;17.08,4.93,;16.31,3.61,;14.78,3.61,;14.02,4.94,;14.79,6.26,;16.31,6.26,;12.48,4.95,;11.71,6.29,;11.71,3.62,;20.92,3.6,;21.69,2.27,;23.99,.94,;25.53,.93,;30.91,-.44,;31.69,.89,;31.67,-1.78,;30.89,-3.11,;31.64,-4.44,;33.18,-4.46,;33.93,-5.81,;33.96,-3.14,;33.21,-1.79,)| Show InChI InChI=1S/C33H43N3O7/c1-2-3-18-36-30(39)28(29(38)23-6-10-25(37)11-7-23)34-32(42)33(36)16-19-35(20-17-33)21-22-4-12-26(13-5-22)43-27-14-8-24(9-15-27)31(40)41/h4-5,8-9,12-15,23,25,28-29,37-38H,2-3,6-7,10-11,16-21H2,1H3,(H,34,42)(H,40,41)/t23?,25?,28-,29+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair