BDBM50264093 CHEMBL4094069

SMILES: [H][C@@]12Cc3[nH]c4ccccc4c3CN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O

InChI Key: InChIKey=JANIBDQKPPXRMU-LLEZEORVSA-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 = 50264093   

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-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50264093 (CHEMBL4094069) Show SMILES [H][C@@]12Cc3[nH]c4ccccc4c3CN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C47H55N11O7/c1-57-39(13-7-21-52-47(50)65)42(61)56-38(24-28-14-17-29-8-2-3-9-30(29)22-28)45(64)58-26-33-32-10-4-5-11-34(32)53-36(33)25-40(58)43(62)55-37(23-27-15-18-31(59)19-16-27)41(60)54-35(44(57)63)12-6-20-51-46(48)49/h2-5,8-11,14-19,22,35,37-40,53,59H,6-7,12-13,20-21,23-26H2,1H3,(H,54,60)(H,55,62)(H,56,61)(H4,48,49,51)(H3,50,52,65)/t35-,37+,38-,39-,40-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7) (Homo sapiens (Human))	BDBM50264093 (CHEMBL4094069) Show SMILES [H][C@@]12Cc3[nH]c4ccccc4c3CN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C47H55N11O7/c1-57-39(13-7-21-52-47(50)65)42(61)56-38(24-28-14-17-29-8-2-3-9-30(29)22-28)45(64)58-26-33-32-10-4-5-11-34(32)53-36(33)25-40(58)43(62)55-37(23-27-15-18-31(59)19-16-27)41(60)54-35(44(57)63)12-6-20-51-46(48)49/h2-5,8-11,14-19,22,35,37-40,53,59H,6-7,12-13,20-21,23-26H2,1H3,(H,54,60)(H,55,62)(H,56,61)(H4,48,49,51)(H3,50,52,65)/t35-,37+,38-,39-,40-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair