BDBM50263987 CHEMBL4086307

SMILES: [H][C@@]12Cc3ccccc3N1C(=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=BPGOESROVOSMPG-CVXAHBFTSA-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 = 50263987   

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 7 (CXCR7) (Homo sapiens (Human))	BDBM50263987 (CHEMBL4086307) Show SMILES [H][C@@]12Cc3ccccc3N1C(=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/C44H52N10O7/c1-53-36(13-7-21-49-44(47)61)39(57)52-34(24-27-14-17-28-8-2-3-9-29(28)22-27)42(60)54-35-12-5-4-10-30(35)25-37(54)40(58)51-33(23-26-15-18-31(55)19-16-26)38(56)50-32(41(53)59)11-6-20-48-43(45)46/h2-5,8-10,12,14-19,22,32-34,36-37,55H,6-7,11,13,20-21,23-25H2,1H3,(H,50,56)(H,51,58)(H,52,57)(H4,45,46,48)(H3,47,49,61)/t32-,33+,34-,36-,37-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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 4 (Homo sapiens (Human))	BDBM50263987 (CHEMBL4086307) Show SMILES [H][C@@]12Cc3ccccc3N1C(=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/C44H52N10O7/c1-53-36(13-7-21-49-44(47)61)39(57)52-34(24-27-14-17-28-8-2-3-9-29(28)22-27)42(60)54-35-12-5-4-10-30(35)25-37(54)40(58)51-33(23-26-15-18-31(55)19-16-26)38(56)50-32(41(53)59)11-6-20-48-43(45)46/h2-5,8-10,12,14-19,22,32-34,36-37,55H,6-7,11,13,20-21,23-25H2,1H3,(H,50,56)(H,51,58)(H,52,57)(H4,45,46,48)(H3,47,49,61)/t32-,33+,34-,36-,37-/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