BDBM50264003 CHEMBL4093348

SMILES: CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O

InChI Key: InChIKey=KNNZNIYGBLJIFV-GDLMWWPGSA-N

Data: 2 IC50  2 EC50

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 4 hits for monomerid = 50264003   

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))	BDBM50264003 (CHEMBL4093348) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C49H58N10O7/c1-58-41(17-9-25-54-49(52)66)44(62)57-40(28-31-18-21-32-10-3-4-12-34(32)26-31)47(65)59(2)42(29-35-14-7-13-33-11-5-6-15-37(33)35)45(63)56-39(27-30-19-22-36(60)23-20-30)43(61)55-38(46(58)64)16-8-24-53-48(50)51/h3-7,10-15,18-23,26,38-42,60H,8-9,16-17,24-25,27-29H2,1-2H3,(H,55,61)(H,56,63)(H,57,62)(H4,50,51,53)(H3,52,54,66)/t38-,39+,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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))	BDBM50264003 (CHEMBL4093348) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C49H58N10O7/c1-58-41(17-9-25-54-49(52)66)44(62)57-40(28-31-18-21-32-10-3-4-12-34(32)26-31)47(65)59(2)42(29-35-14-7-13-33-11-5-6-15-37(33)35)45(63)56-39(27-30-19-22-36(60)23-20-30)43(61)55-38(46(58)64)16-8-24-53-48(50)51/h3-7,10-15,18-23,26,38-42,60H,8-9,16-17,24-25,27-29H2,1-2H3,(H,55,61)(H,56,63)(H,57,62)(H4,50,51,53)(H3,52,54,66)/t38-,39+,40-,41-,42-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Activation of YFP-tagged ACKR3 (unknown origin) expressed in HEK293E cells assessed as induction of Rluc-tagged beta-arrestin-2 recruitment after 30 ...				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))	BDBM50264003 (CHEMBL4093348) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C49H58N10O7/c1-58-41(17-9-25-54-49(52)66)44(62)57-40(28-31-18-21-32-10-3-4-12-34(32)26-31)47(65)59(2)42(29-35-14-7-13-33-11-5-6-15-37(33)35)45(63)56-39(27-30-19-22-36(60)23-20-30)43(61)55-38(46(58)64)16-8-24-53-48(50)51/h3-7,10-15,18-23,26,38-42,60H,8-9,16-17,24-25,27-29H2,1-2H3,(H,55,61)(H,56,63)(H,57,62)(H4,50,51,53)(H3,52,54,66)/t38-,39+,40-,41-,42-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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
C-X-C chemokine receptor type 7 (CXCR7) (Homo sapiens (Human))	BDBM50264003 (CHEMBL4093348) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C49H58N10O7/c1-58-41(17-9-25-54-49(52)66)44(62)57-40(28-31-18-21-32-10-3-4-12-34(32)26-31)47(65)59(2)42(29-35-14-7-13-33-11-5-6-15-37(33)35)45(63)56-39(27-30-19-22-36(60)23-20-30)43(61)55-38(46(58)64)16-8-24-53-48(50)51/h3-7,10-15,18-23,26,38-42,60H,8-9,16-17,24-25,27-29H2,1-2H3,(H,55,61)(H,56,63)(H,57,62)(H4,50,51,53)(H3,52,54,66)/t38-,39+,40-,41-,42-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Activation of YFP-tagged ACKR3 (unknown origin) expressed in HEK293E cells assessed as induction of Rluc-tagged beta-arrestin-2 recruitment after 30 ...				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